A0A087Y796_POEFO Loading...

Zinc finger protein 438

AlphaFold DB , UniProt , Accession A0A087Y796, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 760 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	Q	54.4	Low	38.6	Very low	237 Å²	237	151.2 Å²	151.2	100%	1.107	84%	0.837	S	S	*	*				0	93	0	-67.5	171.9	-10	0	0	107.7
2	F	31.3	Very low	38	Very low	212 Å²	212	150 Å²	150	93%	0.93	84%	0.836	S	S	*	*			trans	-137.2	171.2	-166	-91	-75.2	0	0	0	113.8
3	R	43.3	Very low	37.9	Very low	222 Å²	222	147.5 Å²	147.5	84%	0.838	83%	0.827	S	S	*	*			trans	-96.6	165.7	-174.4	-57.6	174.5	166.5	-157.2	-1.9	112
4	S	35.9	Very low	38	Very low	102 Å²	102	145.6 Å²	145.6	71%	0.713	82%	0.824	S	S	*	*			trans	73.3	171.4	133	64.6	0	0	0	0	120.5
5	I	34.6	Very low	37.7	Very low	164 Å²	164	143.1 Å²	143.1	84%	0.841	82%	0.819	S	S	*	*			trans	96.3	128.4	167.5	-57	159	0	0	0	114.4
6	A	37.5	Very low	38.6	Very low	85 Å²	85	141.2 Å²	141.2	70%	0.702	81%	0.814	S	S	*	*			trans	-123.2	146.8	166.2	0	0	0	0	0	108
7	P	45.7	Very low	38.4	Very low	131 Å²	131	139.8 Å²	139.8	85%	0.851	81%	0.814	S	S	*	*			trans	-78.9	168.4	175	-12.3	29.8	0	0	0	113.1
8	K	32.2	Very low	38.7	Very low	196 Å²	196	138.7 Å²	138.7	85%	0.852	81%	0.812	S	S	*	*			trans	-125.1	151.1	170.5	-63.4	176.5	177.1	177.8	0	109.8
9	A	33.9	Very low	38.2	Very low	96 Å²	96	140.5 Å²	140.5	79%	0.793	82%	0.817	S	S	*	*			trans	65.5	172.5	144.2	0	0	0	0	0	116.1
10	P	45	Very low	37.8	Very low	127 Å²	127	139.6 Å²	139.6	83%	0.825	81%	0.814	S	S	*	*			cis	-119.7	-177	1	41.5	-27.3	0	0	0	115
11	A	30.7	Very low	38	Very low	91 Å²	91	137.9 Å²	137.9	75%	0.752	81%	0.807	S	S	*	*			trans	-102	154.8	177.2	0	0	0	0	0	111.9
12	V	32	Very low	36.6	Very low	137 Å²	137	132.7 Å²	132.7	83%	0.83	79%	0.792	S	S	*	*			trans	-134.4	141.2	162.1	178.4	0	0	0	0	108.1
13	V	35.9	Very low	36.5	Very low	118 Å²	118	128.6 Å²	128.6	72%	0.715	79%	0.788	S	S	*	*			trans	-131	134.5	174.3	175.2	0	0	0	0	106.9
14	P	39.1	Very low	35.9	Very low	121 Å²	121	126.9 Å²	126.9	79%	0.786	79%	0.79	S	S	*	*				-114.3	164.7	125.7	-11.6	30.2	0	0	0	112.8
15	S	34	Very low	36.5	Very low	108 Å²	108	127.2 Å²	127.2	76%	0.755	79%	0.789	S	S	*	*			trans	-116.1	-155.8	-174.3	60.4	0	0	0	0	110.7
16	P	51.8	Low	36.1	Very low	112 Å²	112	126.7 Å²	126.7	73%	0.727	79%	0.787	S	S	*	*				-122.5	-178.7	-121.3	38.8	-20.3	0	0	0	114.5
17	S	35.2	Very low	35.8	Very low	117 Å²	117	127.9 Å²	127.9	82%	0.818	79%	0.79	S	S	*	*				-174.2	155.2	129.7	-83	0	0	0	0	112.6
18	P	44.6	Very low	35	Very low	121 Å²	121	126.2 Å²	126.2	79%	0.786	79%	0.788	S	S	*	*			trans	-103.4	170.6	-178.8	40.5	-35	0	0	0	113.4
19	L	29.5	Very low	34.9	Very low	173 Å²	173	124.5 Å²	124.5	91%	0.906	79%	0.787	S	S	*	*			trans	-157.7	152.2	149.7	-108.5	170.1	0	0	0	111.4
20	T	28.9	Very low	35.6	Very low	121 Å²	121	124.7 Å²	124.7	74%	0.742	78%	0.78	S	S	*	*			trans	-128.2	-176	170.1	61.5	0	0	0	0	107.1
21	P	43.5	Very low	34.8	Very low	105 Å²	105	127 Å²	127	68%	0.682	78%	0.78	S	S	*	*			cis	-137.2	-157.1	-2.9	35.4	-12.3	0	0	0	114.1
22	T	24.1	Very low	34.7	Very low	127 Å²	127	126.4 Å²	126.4	78%	0.779	78%	0.775	S	S	*	*			trans	92.4	153	144.8	20.9	0	0	0	0	123.4
23	C	28.7	Very low	34.6	Very low	126 Å²	126	125.9 Å²	125.9	85%	0.851	77%	0.773	S	S	*	*			trans	81.8	101.2	166.5	-66.1	0	0	0	0	120.4
24	Q	31.5	Very low	34.3	Very low	187 Å²	187	126.7 Å²	126.7	87%	0.874	78%	0.778	S	S	*	*			trans	-91.3	-166.1	146	-44.5	176.8	-61.1	0	0	108.3
25	P	48.5	Very low	33.9	Very low	109 Å²	109	125.6 Å²	125.6	71%	0.708	78%	0.779	S	S	*	*			cis	-133.3	-174	-14.2	41.7	-26	0	0	0	113.4
26	L	25.9	Very low	33.7	Very low	153 Å²	153	126.3 Å²	126.3	80%	0.801	78%	0.784	S	S	*	*			trans	-164.1	142.4	132.8	-132.6	75.9	0	0	0	113.3
27	S	30.8	Very low	33	Very low	109 Å²	109	126 Å²	126	76%	0.762	79%	0.785	S	S	*	*			trans	41.3	140.5	143.3	-66.2	0	0	0	0	122.9
28	A	29.7	Very low	33.5	Very low	97 Å²	97	125.4 Å²	125.4	80%	0.802	78%	0.778	S	S	*	*			cis	-156.7	162.5	0.4	0	0	0	0	0	113.7
29	L	30.8	Very low	33	Very low	159 Å²	159	128.7 Å²	128.7	83%	0.832	78%	0.78	S	S	*	*			trans	-97.3	167.7	162.1	-103.3	165.7	0	0	0	108.5
30	P	47.6	Very low	33.2	Very low	100 Å²	100	125.8 Å²	125.8	65%	0.649	77%	0.774	S	S	*	*				-136.6	-166	51.5	40.5	-18.3	0	0	0	112.7
31	E	28.1	Very low	33.4	Very low	175 Å²	175	128.5 Å²	128.5	82%	0.818	78%	0.782	S	S	*	*			cis	-155.2	172.3	17.5	-155.1	141.3	-135.4	0	0	114.4
32	A	29.4	Very low	32.8	Very low	79 Å²	79	130.7 Å²	130.7	65%	0.653	79%	0.787	S	S	*	*			trans	-23.2	152.5	172	0	0	0	0	0	119.3
33	T	28.5	Very low	33.1	Very low	127 Å²	127	130.6 Å²	130.6	78%	0.779	79%	0.786	S	S	*	*			cis	-159.8	-166	-5.1	19.1	0	0	0	0	107
34	T	30.9	Very low	33.5	Very low	135 Å²	135	129.2 Å²	129.2	83%	0.828	78%	0.776	S	S	*	*			cis	-156.9	167.5	16.9	-30.2	0	0	0	0	109.8
35	A	30.8	Very low	33.8	Very low	98 Å²	98	127 Å²	127	81%	0.81	78%	0.775	S	S	*	*			trans	-107.6	140.3	177.3	0	0	0	0	0	113.8
36	S	29.5	Very low	33.5	Very low	122 Å²	122	128.6 Å²	128.6	85%	0.853	77%	0.773	S	S	*	*			trans	-167.9	147.6	152.7	-171.4	0	0	0	0	112.3
37	S	35.8	Very low	34.3	Very low	107 Å²	107	129.1 Å²	129.1	75%	0.748	78%	0.777	S	S	*	*			trans	-141	147.1	158.9	76.7	0	0	0	0	107.3
38	P	46.7	Very low	34.7	Very low	104 Å²	104	132.5 Å²	132.5	68%	0.675	77%	0.774	S	S	*	*				-157.5	164.8	89.8	40.2	-21	0	0	0	118.1
39	K	34.3	Very low	35.3	Very low	189 Å²	189	132.7 Å²	132.7	82%	0.822	78%	0.776	S	S	*	*			trans	46.4	99.9	140.2	-65.4	173.6	-178.2	175.2	0	121.3
40	S	33.2	Very low	35.9	Very low	112 Å²	112	132.2 Å²	132.2	78%	0.783	77%	0.773	S	S	*	*				39.9	116.6	122.3	63.6	0	0	0	0	121.9
41	I	32.5	Very low	35.7	Very low	178 Å²	178	134.7 Å²	134.7	91%	0.913	78%	0.778	S	S	*	*			trans	-131.1	158.8	148.2	-63.3	-177.5	0	0	0	108
42	L	31	Very low	36.5	Very low	152 Å²	152	134.5 Å²	134.5	80%	0.796	78%	0.777	S	S	*	*			trans	-135.3	150.4	-167	-142.5	161.7	0	0	0	111
43	V	31.7	Very low	37.4	Very low	124 Å²	124	136.7 Å²	136.7	75%	0.752	78%	0.777	S	S	*	*			trans	77.9	145.3	171.8	-167.7	0	0	0	0	115.1
44	P	36.7	Very low	37.9	Very low	97 Å²	97	135.2 Å²	135.2	63%	0.63	78%	0.777	S	S	*	*			cis	-116.7	154.9	-22.2	32.6	-17.7	0	0	0	113.6	Q46	P44-Q46 PolarHBondContact O-N 3.39Å
45	T	38.2	Very low	38.7	Very low	140 Å²	140	131.1 Å²	131.1	86%	0.859	76%	0.761	S	S	*	*			trans	-78.5	102.7	165.8	50.9	0	0	0	0	110.9
46	Q	41	Very low	39.7	Very low	143 Å²	143	135.4 Å²	135.4	67%	0.668	77%	0.765	S	S	*	*			trans	-83.5	142	161.8	-71.8	-177.3	-21.5	0	0	109.8	P44 Y48	P44-Q46 PolarHBondContact O-N 3.39Å; Q46-Y48 HydrophobicContact CB-CE2 4.23Å; Q46-Y48 PolarHBondContact O-N 2.78Å
47	N	42	Very low	40.7	Very low	164 Å²	164	137.2 Å²	137.2	88%	0.877	77%	0.765	S	S	*	*			trans	-77.2	105.2	-173.9	-65.3	-29.6	0	0	0	111
48	Y	40.2	Very low	41.5	Very low	180 Å²	180	135 Å²	135	71%	0.706	76%	0.759	S	S	*	*			trans	-106	114.6	164.2	-69.4	-81.3	0	0	0	109.3	Q46 L50	Q46-Y48 HydrophobicContact CB-CE2 4.23Å; Q46-Y48 PolarHBondContact O-N 2.78Å; Y48-L50 PolarHBondContact O-N 3.42Å
49	A	43.2	Very low	41.3	Very low	101 Å²	101	136 Å²	136	84%	0.835	76%	0.764	S	S	*	*			trans	-80	104.4	169.6	0	0	0	0	0	108.7	M51	A49-M51 PolarHBondContact O-N 3.26Å
50	L	43.1	Very low	41.6	Very low	150 Å²	150	134.6 Å²	134.6	79%	0.785	76%	0.758	S	S	*	*			trans	-78.9	108.8	168.1	-66.9	176.2	0	0	0	108.2	Y48	Y48-L50 PolarHBondContact O-N 3.42Å
51	M	43.9	Very low	42	Very low	151 Å²	151	135.1 Å²	135.1	74%	0.744	76%	0.761	S	S	*	*			trans	-99.7	122.6	177.9	-162.8	169.3	79.5	0	0	110.1	A49 I53	A49-M51 PolarHBondContact O-N 3.26Å; M51-I53 HydrophobicContact CE-CD1 4.14Å; M51-I53 HydrophobicContact CE-CG1 4.08Å; M51-I53 PolarHBondContact O-N 3.32Å
52	Q	43.3	Very low	42.3	Very low	171 Å²	171	134 Å²	134	80%	0.799	76%	0.756	S	S	*	*			trans	-85.8	107.5	178.1	-175.1	176.6	5.8	0	0	109.3
53	I	48.4	Very low	42.6	Very low	126 Å²	126	133.1 Å²	133.1	65%	0.646	76%	0.757	S	S	*	*			trans	-92.8	127.1	174.5	-57.9	177.3	0	0	0	108.4	M51 G55	M51-I53 HydrophobicContact CE-CD1 4.14Å; M51-I53 HydrophobicContact CE-CG1 4.08Å; M51-I53 PolarHBondContact O-N 3.32Å; I53-G55 PolarHBondContact O-N 3.31Å
54	A	40.5	Very low	42.8	Very low	95 Å²	95	131.2 Å²	131.2	79%	0.785	75%	0.754	S	S	*	*			trans	-78.3	97.5	172.3	0	0	0	0	0	109.6
55	G	46	Very low	42.7	Very low	49 Å²	49	134.2 Å²	134.2	51%	0.505	76%	0.764	S	S	.	*			trans	-66.3	136.1	162.4	0	0	0	0	0	109.9	I53	I53-G55 PolarHBondContact O-N 3.31Å
56	Q	52.6	Low	42.7	Very low	189 Å²	189	133 Å²	133	88%	0.883	76%	0.759	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.5	136.2	162.4	-63.7	174.6	9.7	0	0	107.1
57	D	50.5	Low	42.6	Very low	159 Å²	159	132.3 Å²	132.3	85%	0.85	77%	0.767	S	S	*	*	T	Hydrogen-bonded Turn	trans	63.8	42.4	-178.8	-51.9	-28.1	0	0	0	117.3	T59	D57-T59 PolarHBondContact O-N 3.44Å
58	G	52.3	Low	42.1	Very low	61 Å²	61	130.3 Å²	130.3	63%	0.629	77%	0.766	S	S	*	*	S	Bend	trans	76.7	19	130.4	0	0	0	0	0	119.1
59	T	43.4	Very low	41.7	Very low	126 Å²	126	128.2 Å²	128.2	77%	0.773	77%	0.771	S	S	*	*			trans	-119.9	143.3	171.1	48	0	0	0	0	112.1	D57	D57-T59 PolarHBondContact O-N 3.44Å
60	F	40.9	Very low	41.1	Very low	159 Å²	159	128.6 Å²	128.6	70%	0.697	77%	0.768	S	S	*	*			trans	-115.8	143.6	-174.6	-57.9	-76	0	0	0	111.5
61	S	41.6	Very low	40.5	Very low	122 Å²	122	126.6 Å²	126.6	85%	0.853	77%	0.766	S	S	*	*			trans	-155.1	148.3	169.8	-80.8	0	0	0	0	111
62	L	37.9	Very low	40	Very low	155 Å²	155	128.5 Å²	128.5	81%	0.812	77%	0.773	S	S	*	*			trans	-111.4	126.2	-175.1	-71.1	168.2	0	0	0	110.4
63	V	37.2	Very low	39.4	Very low	133 Å²	133	126.5 Å²	126.5	81%	0.806	77%	0.773	S	S	*	*			trans	-137.2	141.6	172.2	-177.8	0	0	0	0	108.6
64	A	35.6	Very low	39.2	Very low	84 Å²	84	125.5 Å²	125.5	69%	0.694	77%	0.774	S	S	*	*			trans	-125.2	145.5	175.6	0	0	0	0	0	110.3
65	L	35.5	Very low	38.8	Very low	161 Å²	161	128.8 Å²	128.8	84%	0.843	77%	0.774	S	S	*	*			trans	-130.2	145.8	179.4	-71.2	174.1	0	0	0	111.5
66	P	38.1	Very low	38.2	Very low	114 Å²	114	133.4 Å²	133.4	74%	0.74	78%	0.782	S	S	*	*			trans	-89.9	161.1	-176.9	36.4	-36.1	0	0	0	113.5
67	P	38.5	Very low	37.2	Very low	129 Å²	129	132.1 Å²	132.1	84%	0.838	78%	0.776	S	S	*	*			trans	-80.5	148.2	175.7	33.3	-35.1	0	0	0	112.9
68	S	32	Very low	36	Very low	122 Å²	122	130.9 Å²	130.9	85%	0.853	77%	0.774	S	S	*	*			trans	-124.2	167.7	175.3	61	0	0	0	0	112
69	V	31.3	Very low	35	Very low	135 Å²	135	135.6 Å²	135.6	82%	0.818	78%	0.78	S	S	*	*			trans	-138.4	125	-156.5	-179.9	0	0	0	0	113.3
70	S	31.6	Very low	34.2	Very low	110 Å²	110	134.2 Å²	134.2	77%	0.769	78%	0.775	S	S	*	*			trans	49.5	123.9	152.8	172.7	0	0	0	0	121.7
71	S	30.4	Very low	33.7	Very low	107 Å²	107	132.9 Å²	132.9	75%	0.748	77%	0.774	S	S	*	*			trans	-158.3	114.8	141.6	56.3	0	0	0	0	116.3
72	Q	32.3	Very low	33.2	Very low	191 Å²	191	133.3 Å²	133.3	89%	0.893	76%	0.763	S	S	*	*			trans	50.7	141.8	130.4	-57.8	-178.4	3.3	0	0	124.1
73	T	31	Very low	33	Very low	129 Å²	129	133.8 Å²	133.8	79%	0.791	76%	0.758	S	S	*	*			trans	-91.1	162.5	167.8	56.7	0	0	0	0	112.7
74	P	43.5	Very low	32.6	Very low	105 Å²	105	134.2 Å²	134.2	68%	0.682	76%	0.756	S	S	*	*				-159	152.4	103.9	37.9	-18.7	0	0	0	119.6
75	Q	32.7	Very low	32.6	Very low	165 Å²	165	136.8 Å²	136.8	77%	0.771	76%	0.757	S	S	*	*			trans	61	158.7	140.4	-66.3	-176.9	-36.3	0	0	121
76	Q	34.3	Very low	32.4	Very low	145 Å²	145	137.2 Å²	137.2	68%	0.678	75%	0.752	S	S	*	*			cis	-166.2	177.6	-11.3	-116.7	-179	1.1	0	0	112.9
77	Q	30	Very low	32.4	Very low	163 Å²	163	139 Å²	139	76%	0.762	76%	0.755	S	S	*	*			trans	79.4	128.4	165.1	-41.7	-161.6	2.8	0	0	116.9
78	T	27	Very low	32.3	Very low	132 Å²	132	138.4 Å²	138.4	81%	0.81	75%	0.751	S	S	*	*			cis	86.1	134	33.6	64.7	0	0	0	0	115
79	Q	29.8	Very low	32.8	Very low	161 Å²	161	139.7 Å²	139.7	75%	0.752	75%	0.747	S	S	*	*			cis	-117.4	-174.4	30.8	-82.2	-154.9	69.4	0	0	115.3
80	S	27.9	Very low	33.1	Very low	96 Å²	96	139.1 Å²	139.1	67%	0.671	75%	0.746	S	S	*	*			cis	98	159.1	16.4	150.2	0	0	0	0	118.3
81	I	28.9	Very low	33.1	Very low	132 Å²	132	143.1 Å²	143.1	68%	0.677	74%	0.744	S	S	*	*			trans	83.5	134.9	-172.8	-64.6	172.6	0	0	0	115.9
82	Q	32.7	Very low	33	Very low	131 Å²	131	147.3 Å²	147.3	61%	0.612	75%	0.745	S	S	*	*			cis	-161.2	149.5	-14.2	-107.9	179.3	58.8	0	0	113
83	K	32.8	Very low	33.1	Very low	165 Å²	165	144.1 Å²	144.1	72%	0.717	74%	0.741	S	S	*	*			trans	57	127.6	150	-64.1	165.7	-177.2	159.5	0	120.2
84	N	29.6	Very low	33.1	Very low	141 Å²	141	144 Å²	144	75%	0.754	75%	0.745	S	S	*	*				70.6	133	62.3	-70.3	-38.5	0	0	0	114.3
85	L	34.4	Very low	32.6	Very low	139 Å²	139	143.5 Å²	143.5	73%	0.728	75%	0.75	S	S	*	*			cis	-169.4	162.9	12.4	-116.8	169.8	0	0	0	113.8
86	K	31.2	Very low	32.4	Very low	169 Å²	169	147.4 Å²	147.4	74%	0.735	76%	0.758	S	S	*	*			trans	81	109.4	153.3	-69.5	169.9	-178.3	176.4	0	124.1
87	L	39.2	Very low	32.2	Very low	152 Å²	152	145.5 Å²	145.5	80%	0.796	76%	0.76	S	S	*	*				62.5	164	121.4	-63.6	178	0	0	0	121
88	P	36.8	Very low	32.2	Very low	117 Å²	117	147.1 Å²	147.1	76%	0.76	77%	0.765	S	S	*	*			cis	-127.9	-177.4	7.9	43.2	-27.7	0	0	0	116.8
89	I	40.9	Very low	32.3	Very low	148 Å²	148	152.9 Å²	152.9	76%	0.759	77%	0.772	S	S	*	*			trans	-119.1	128.6	179.5	-61.6	166.5	0	0	0	111.3
90	P	38	Very low	32.3	Very low	123 Å²	123	150.4 Å²	150.4	80%	0.799	77%	0.772	S	S	*	*			trans	-85.7	157.6	162.7	-12.7	30.7	0	0	0	113.8
91	R	31	Very low	32.4	Very low	195 Å²	195	151 Å²	151	74%	0.736	78%	0.776	S	S	*	*			trans	-137.5	168.7	178.9	-77.3	-173.2	174.2	-169.8	2.6	112
92	Y	28.9	Very low	32.4	Very low	194 Å²	194	153.1 Å²	153.1	76%	0.761	78%	0.783	S	S	*	*			trans	76	166.5	160.5	-60.5	-64.5	0	0	0	117
93	P	34.6	Very low	32.3	Very low	125 Å²	125	154.5 Å²	154.5	81%	0.812	79%	0.787	S	S	*	*			cis	-126.5	-174.7	-3.9	22	2.4	0	0	0	115.1
94	S	31.5	Very low	32.1	Very low	125 Å²	125	151.1 Å²	151.1	87%	0.874	78%	0.78	S	S	*	*			trans	-148.5	152.3	162.6	66.7	0	0	0	0	112.7
95	A	32.6	Very low	32	Very low	95 Å²	95	148.6 Å²	148.6	79%	0.785	76%	0.763	S	S	*	*			trans	-168.4	165.2	-179.2	0	0	0	0	0	109.5
96	R	28.7	Very low	32	Very low	248 Å²	248	146.1 Å²	146.1	94%	0.936	76%	0.757	S	S	*	*			cis	-157	-171.8	-15.6	-118.9	175.4	175.6	168.8	-1.2	107.4
97	S	29	Very low	32.6	Very low	104 Å²	104	141.7 Å²	141.7	73%	0.727	75%	0.745	S	S	*	*			trans	-152.6	149.2	177	81.1	0	0	0	0	117.1
98	K	31.6	Very low	32.1	Very low	198 Å²	198	139 Å²	139	86%	0.861	73%	0.731	S	S	*	*			trans	62.5	122.7	156	-66.9	179.9	175.8	177.8	0	121.5
99	R	28.7	Very low	31.6	Very low	252 Å²	252	135.8 Å²	135.8	95%	0.951	71%	0.714	S	S	*	*				-177.8	166.9	110.3	-99.1	-177.2	-177.4	-137.4	3.4	111.2
100	S	29.7	Very low	30.9	Very low	110 Å²	110	134.2 Å²	134.2	77%	0.769	71%	0.711	S	S	*	*			trans	-166.3	173.7	-175.5	86.3	0	0	0	0	108.9
101	S	30.1	Very low	30.3	Very low	107 Å²	107	133 Å²	133	75%	0.748	71%	0.706	S	S	*	*			cis	-173.7	148.3	-8.3	33.3	0	0	0	0	110.1
102	E	28.6	Very low	30.2	Very low	178 Å²	178	129 Å²	129	83%	0.832	70%	0.703	S	S	*	*			trans	-143.5	165.2	173.1	-76.5	-158.1	108.4	0	0	110.2
103	K	31.1	Very low	30.2	Very low	160 Å²	160	129.1 Å²	129.1	70%	0.696	71%	0.707	S	S	*	*			cis	-176.9	168.7	-29.9	-167.1	178.7	178.8	-174.2	0	107.8
104	V	27.8	Very low	30	Very low	93 Å²	93	127.8 Å²	127.8	56%	0.564	71%	0.706	S	S	*	*			trans	76.9	142	169.6	-175.7	0	0	0	0	112.7	S188	V104-S188 VanDerWaalsContact CB-O 3.27Å; V104-S188 WeakPolarHBondContact CB-O 3.34Å; V104-S188 WeakPolarHBondContact CG1-O 3.3Å
105	K	27.8	Very low	29.8	Very low	89 Å²	89	125.4 Å²	125.4	39%	0.387	70%	0.695	S	S	.	*			cis	-155.6	163.4	-11.9	151	-165.6	8.1	72.6	0	110.2	Q186 T187 S188	K105-Q186 CarbonylContact C-O 3.5Å; K105-Q186 VanDerWaalsContact C-O 3.29Å; K105-Q186 WeakPolarHBondContact CB-O 3.37Å; K105-Q186 HydrophobicContact CD-CB 4.31Å; K105-Q186 HydrophobicContact CD-CG 4.32Å; K105-Q186 WeakPolarHBondContact CD-O 3.24Å; K105-Q186 HydrophobicContact CG-CB 4.17Å; K105-Q186 WeakPolarHBondContact CG-O 3.14Å; K105-Q186 PolarHBondContact NZ-O 2.83Å; K105-Q186 CarbonylContact O-C 3.18Å; K105-Q186 PolarHBondContact O-N 2.81Å; K105-Q186 VanDerWaalsContact O-O 3.07Å; K105-T187 PolarHBondContact N-O 3.12Å; K105-T187 PolarHBondContact NZ-O 2.65Å; K105-T187 PolarHBondContact NZ-OG1 3.19Å; K105-S188 PolarHBondContact NZ-OG 3.42Å
106	S	33.4	Very low	29.4	Very low	87 Å²	87	129.7 Å²	129.7	61%	0.608	70%	0.696	S	S	*	*			trans	-150.5	163.1	171.7	68.7	0	0	0	0	110.1	E185	S106-E185 VanDerWaalsContact CA-O 3.29Å; S106-E185 WeakPolarHBondContact CA-O 3.5Å; S106-E185 WeakPolarHBondContact CB-O 3.25Å
107	P	45	Very low	29.5	Very low	76 Å²	76	124.2 Å²	124.2	49%	0.494	69%	0.685	S	S	.	*			cis	-144.3	-168.2	41.5	35.4	-10.8	0	0	0	116.3
108	I	27.5	Very low	29.9	Very low	96 Å²	96	125 Å²	125	49%	0.492	69%	0.685	S	S	.	*				162.5	118.9	124.4	-79.8	156.1	0	0	0	114.9	K183 L184	I108-K183 CarbonylContact O-C 3.21Å; I108-L184 CarbonylContact C-O 3.46Å; I108-L184 VanDerWaalsContact C-O 3.28Å; I108-L184 HydrophobicContact CB-CB 3.99Å; I108-L184 HydrophobicContact CG2-CB 4.34Å; I108-L184 HydrophobicContact CG2-CD2 4.39Å; I108-L184 VanDerWaalsContact N-C 3.34Å; I108-L184 PolarHBondContact N-O 3.32Å; I108-L184 CarbonylContact O-C 3.55Å; I108-L184 WeakPolarHBondContact O-CA 3.34Å; I108-L184 WeakPolarHBondContact O-CB 3.31Å
109	A	26.9	Very low	30	Very low	49 Å²	49	121.6 Å²	121.6	41%	0.405	68%	0.683	S	S	.	*			trans	94.2	118.5	146	0	0	0	0	0	124.2	K183	A109-K183 HydrophobicContact CB-CB 4.36Å; A109-K183 PolarHBondContact O-N 3.42Å
110	V	26.8	Very low	30.3	Very low	114 Å²	114	115.8 Å²	115.8	69%	0.691	68%	0.676	S	S	*	*				76.1	115.9	128.3	170.8	0	0	0	0	116.7
111	S	26	Very low	30.4	Very low	99 Å²	99	118.2 Å²	118.2	69%	0.692	68%	0.679	S	S	*	*				64.1	140.9	75.1	-87.1	0	0	0	0	114.1
112	T	27.4	Very low	31.2	Very low	109 Å²	109	118 Å²	118	67%	0.669	68%	0.675	S	S	*	*			cis	-159.6	155.5	16.8	-10.2	0	0	0	0	111.8
113	K	28.4	Very low	31.3	Very low	198 Å²	198	118.6 Å²	118.6	86%	0.861	68%	0.678	S	S	*	*			trans	51.3	153.5	145.2	-75.4	170.2	-178.4	179.6	0	122.2
114	A	30.5	Very low	31.3	Very low	96 Å²	96	116.6 Å²	116.6	79%	0.793	68%	0.679	S	S	*	*			trans	-71.2	178.3	165.6	0	0	0	0	0	111.7
115	A	27.2	Very low	31.5	Very low	76 Å²	76	121.9 Å²	121.9	63%	0.628	70%	0.695	S	S	*	*			cis	-167.7	-171.8	29.4	0	0	0	0	0	114.2
116	F	24.6	Very low	31.4	Very low	185 Å²	185	123.2 Å²	123.2	81%	0.811	72%	0.715	S	S	*	*			trans	81.9	116	157.1	-72	-68.9	0	0	0	122.3
117	N	30.8	Very low	31.1	Very low	133 Å²	133	126 Å²	126	71%	0.711	73%	0.728	S	S	*	*				47.2	124.8	126.2	-66.9	14.6	0	0	0	124.2
118	V	38.4	Very low	30.3	Very low	120 Å²	120	125.4 Å²	125.4	73%	0.727	74%	0.735	S	S	*	*				60.7	131.2	126.3	-177	0	0	0	0	120.4
119	P	33.9	Very low	30.3	Very low	126 Å²	126	127.5 Å²	127.5	82%	0.818	76%	0.759	S	S	*	*			trans	-126	144.6	145	37.2	-26	0	0	0	113.8
120	V	34.1	Very low	30.3	Very low	131 Å²	131	128.6 Å²	128.6	79%	0.794	77%	0.774	S	S	*	*			trans	-144.2	141.9	160	179.3	0	0	0	0	108
121	L	31.4	Very low	30.3	Very low	160 Å²	160	129.4 Å²	129.4	84%	0.838	78%	0.78	S	S	*	*			trans	-155.7	170.5	178.2	-139.1	76.8	0	0	0	109.2
122	P	48.3	Very low	30.3	Very low	102 Å²	102	129.8 Å²	129.8	66%	0.662	78%	0.783	S	S	*	*				-126	174	-85.2	41.5	-29.4	0	0	0	113.7
123	Q	30.8	Very low	30.3	Very low	192 Å²	192	128.9 Å²	128.9	90%	0.897	79%	0.786	S	S	*	*			trans	-143.6	-175.4	143.3	-78.9	-144.7	9.4	0	0	111.1
124	T	29.5	Very low	30.2	Very low	118 Å²	118	126.4 Å²	126.4	72%	0.724	79%	0.788	S	S	*	*			trans	-110.3	151.6	-142.7	51.6	0	0	0	0	117.4
125	K	31.7	Very low	30	Very low	204 Å²	204	127 Å²	127	89%	0.887	79%	0.786	S	S	*	*			trans	27.1	132.2	143.1	-55.1	-178.9	-178.4	178	0	117.8
126	S	26.4	Very low	30.1	Very low	116 Å²	116	132.6 Å²	132.6	81%	0.811	80%	0.796	S	S	*	*			cis	-166.4	-179.2	44.3	59.6	0	0	0	0	114.8
127	V	27.6	Very low	30.3	Very low	147 Å²	147	131.3 Å²	131.3	89%	0.891	80%	0.797	S	S	*	*			trans	-29.6	143.9	172.2	-172.7	0	0	0	0	116
128	G	27.1	Very low	30	Very low	62 Å²	62	132.6 Å²	132.6	64%	0.639	80%	0.796	S	S	*	*			cis	156.7	-175.1	-2.7	0	0	0	0	0	113.6
129	S	27.7	Very low	29.3	Very low	141 Å²	141	132.2 Å²	132.2	99%	0.986	79%	0.789	S	S	*	*			trans	72.7	166.3	178.9	-155.9	0	0	0	0	117.2
130	G	27.3	Very low	28.9	Very low	71 Å²	71	132.9 Å²	132.9	73%	0.732	78%	0.782	S	S	*	*			trans	116.4	81.2	164.6	0	0	0	0	0	118
131	T	27.7	Very low	28.4	Very low	131 Å²	131	134.3 Å²	134.3	80%	0.804	78%	0.779	S	S	*	*			trans	-64.7	134.2	178.6	45.2	0	0	0	0	117.9
132	S	25.7	Very low	28.1	Very low	108 Å²	108	131.9 Å²	131.9	76%	0.755	77%	0.772	S	S	*	*			trans	69	157.4	131.8	75.3	0	0	0	0	123.7
133	A	26.3	Very low	27.1	Very low	90 Å²	90	135.3 Å²	135.3	74%	0.744	78%	0.776	S	S	*	*			trans	64.3	131.1	163.9	0	0	0	0	0	117.5
134	V	27.9	Very low	26.8	Very low	146 Å²	146	133.4 Å²	133.4	89%	0.885	77%	0.767	S	S	*	*			cis	86.3	78.5	32.2	-173	0	0	0	0	115.2
135	S	25.8	Very low	26.5	Very low	109 Å²	109	133.1 Å²	133.1	76%	0.762	77%	0.765	S	S	*	*			trans	-172.2	132.1	145.2	49.2	0	0	0	0	107.3
136	K	29.8	Very low	26.2	Very low	192 Å²	192	133.3 Å²	133.3	84%	0.835	76%	0.76	S	S	*	*			cis	73	138.1	40.8	-159.3	-178.8	-174.9	-174.9	0	112.1
137	L	27.1	Very low	26	Very low	159 Å²	159	135.2 Å²	135.2	83%	0.832	76%	0.756	S	S	*	*			trans	82.5	149.6	-172	-56.3	174.9	0	0	0	114
138	K	25.1	Very low	25.9	Very low	159 Å²	159	135.2 Å²	135.2	69%	0.691	76%	0.757	S	S	*	*			cis	-173.3	142.4	-23.4	-174.2	-155.2	-175.8	-154.1	0	107.3
139	L	24.7	Very low	25.7	Very low	112 Å²	112	138.5 Å²	138.5	59%	0.586	77%	0.765	S	S	*	*			trans	65.3	166.7	157.4	-106.8	52.3	0	0	0	116.8
140	E	24.7	Very low	25.7	Very low	141 Å²	141	141.8 Å²	141.8	66%	0.659	76%	0.761	S	S	*	*			cis	-145	-177.9	-12	-158.7	124.6	-121.9	0	0	108.2
141	E	24.6	Very low	25.7	Very low	160 Å²	160	147.2 Å²	147.2	75%	0.748	77%	0.768	S	S	*	*			trans	24.5	149.2	146.1	-81.3	178.8	155.3	0	0	123.1
142	T	24.4	Very low	25.5	Very low	110 Å²	110	146.5 Å²	146.5	68%	0.675	77%	0.768	S	S	*	*			cis	-161.2	171.9	34.9	-8	0	0	0	0	113.8
143	K	27	Very low	25.7	Very low	173 Å²	173	149 Å²	149	75%	0.752	77%	0.772	S	S	*	*			trans	7.4	149.1	138	-74	-178	173.8	172.5	0	119.8
144	H	23.9	Very low	25.9	Very low	153 Å²	153	151.3 Å²	151.3	71%	0.708	77%	0.767	S	S	*	*			cis	-173.1	154.3	-7.4	-121.1	-25.4	0	0	0	111.3
145	T	24.3	Very low	25.8	Very low	112 Å²	112	151.1 Å²	151.1	69%	0.687	76%	0.755	S	S	*	*			trans	72.1	144.8	136.2	-56.5	0	0	0	0	122.8
146	R	24.6	Very low	25.8	Very low	207 Å²	207	151.6 Å²	151.6	78%	0.781	75%	0.752	S	S	*	*			trans	80.5	92.6	160.3	-98.2	174.8	176.4	162	2	121.6
147	E	23.8	Very low	25.4	Very low	156 Å²	156	150.8 Å²	150.8	73%	0.729	75%	0.749	S	S	*	*				30.2	127.3	108.5	-50.7	167.9	125.3	0	0	119.2
148	T	23.6	Very low	25.4	Very low	148 Å²	148	150 Å²	150	91%	0.908	75%	0.745	S	S	*	*				-157.7	154.1	117.6	-0.1	0	0	0	0	111.6
149	T	24.6	Very low	25.6	Very low	130 Å²	130	149.9 Å²	149.9	80%	0.798	75%	0.75	S	S	*	*			trans	-89.1	159.8	-175.8	45.6	0	0	0	0	113.4
150	K	26.3	Very low	25.8	Very low	211 Å²	211	151.7 Å²	151.7	92%	0.917	76%	0.761	S	S	*	*			trans	-164.9	138.9	140.7	-108	153.8	-172	174.5	0	112.4
151	E	27.4	Very low	26.9	Very low	185 Å²	185	150.1 Å²	150.1	86%	0.864	76%	0.763	S	S	*	*			trans	-105.1	-155.8	175.4	-59.3	177.5	102.5	0	0	110.5
152	S	25.1	Very low	27	Very low	115 Å²	115	146.8 Å²	146.8	80%	0.804	76%	0.762	S	S	*	*			trans	76.1	116.5	-174.3	69	0	0	0	0	115
153	L	29.2	Very low	27.2	Very low	161 Å²	161	146.8 Å²	146.8	84%	0.843	77%	0.767	S	S	*	*			cis	102.3	145	15.1	-164.2	120.1	0	0	0	114.3
154	E	29.2	Very low	27.4	Very low	138 Å²	138	143.6 Å²	143.6	65%	0.645	77%	0.766	S	S	*	*			trans	76.9	149.4	171.7	-95.3	-165.8	171.4	0	0	117.8
155	K	27.4	Very low	27.5	Very low	143 Å²	143	143.6 Å²	143.6	62%	0.622	77%	0.772	S	S	*	*			cis	-160.1	176.6	5.3	-150.7	168.8	-160.8	134.3	0	113.2
156	V	24.3	Very low	27.8	Very low	118 Å²	118	145.4 Å²	145.4	72%	0.715	78%	0.776	S	S	*	*			trans	82.3	117.4	161.1	-152.6	0	0	0	0	116
157	F	22.9	Very low	27.9	Very low	176 Å²	176	141 Å²	141	77%	0.772	78%	0.777	S	S	*	*			cis	79.7	144.2	46.6	-73.5	-59.6	0	0	0	113.9
158	L	26.7	Very low	28.3	Very low	142 Å²	142	140.1 Å²	140.1	74%	0.743	78%	0.781	S	S	*	*			cis	-160.3	163.2	15.3	-108.7	146.9	0	0	0	112.4
159	I	29.1	Very low	28.4	Very low	156 Å²	156	139.9 Å²	139.9	80%	0.8	78%	0.78	S	S	*	*			trans	75.6	138.3	150.8	-70.1	158.8	0	0	0	121.8
160	D	28.2	Very low	28.7	Very low	150 Å²	150	137.7 Å²	137.7	80%	0.802	78%	0.775	S	S	*	*			trans	-165.7	173.3	-178.5	-164.2	37.9	0	0	0	106.6
161	P	47.7	Very low	28.7	Very low	109 Å²	109	135.9 Å²	135.9	71%	0.708	77%	0.774	S	S	*	*			cis	-129	-178.5	-9.1	44	-29.1	0	0	0	115.3
162	A	26.6	Very low	28.9	Very low	89 Å²	89	134.7 Å²	134.7	74%	0.736	77%	0.772	S	S	*	*			trans	-160.5	141.7	152.7	0	0	0	0	0	116.9
163	S	28.5	Very low	30	Very low	111 Å²	111	133.6 Å²	133.6	78%	0.776	76%	0.763	S	S	*	*			trans	49	123.9	152.4	60.3	0	0	0	0	123.2
164	S	31.6	Very low	29.9	Very low	105 Å²	105	132.9 Å²	132.9	73%	0.734	76%	0.755	S	S	*	*			trans	3.6	144.9	131.7	-42.3	0	0	0	0	118.4
165	D	26	Very low	29.9	Very low	153 Å²	153	134.1 Å²	134.1	82%	0.818	76%	0.758	S	S	*	*				-164.3	-176.5	64	-133.6	-35.3	0	0	0	116.6
166	I	30.2	Very low	30	Very low	151 Å²	151	131 Å²	131	77%	0.774	76%	0.759	S	S	*	*			trans	-101	140.9	-172	-61.3	157.1	0	0	0	112.5
167	S	26.8	Very low	30.2	Very low	115 Å²	115	133 Å²	133	80%	0.804	77%	0.765	S	S	*	*			trans	179.8	165	133.8	43.2	0	0	0	0	114.2
168	V	32	Very low	30.4	Very low	136 Å²	136	131.8 Å²	131.8	82%	0.824	77%	0.766	S	S	*	*			trans	-121	139.6	-178.5	172.5	0	0	0	0	109.6
169	T	26.3	Very low	30.3	Very low	144 Å²	144	130 Å²	130	88%	0.883	76%	0.764	S	S	*	*			trans	-143	146.5	157	-6.7	0	0	0	0	110.4
170	A	30.2	Very low	30.7	Very low	84 Å²	84	128.8 Å²	128.8	69%	0.694	77%	0.767	S	S	*	*			trans	-100.1	161.2	-180	0	0	0	0	0	111.5
171	I	27.7	Very low	30.7	Very low	173 Å²	173	125.1 Å²	125.1	89%	0.887	76%	0.764	S	S	*	*			trans	-172.5	148.6	135.2	-96.7	150.5	0	0	0	110.8
172	L	31.5	Very low	30.2	Very low	159 Å²	159	124.1 Å²	124.1	83%	0.832	76%	0.76	S	S	*	*			trans	-142.5	173.4	176.9	-96	167.5	0	0	0	105.5
173	P	47.8	Very low	30.4	Very low	93 Å²	93	126.5 Å²	126.5	60%	0.604	75%	0.753	S	S	*	*			cis	-136.7	-151.7	-8.6	24.5	3.3	0	0	0	111.9
174	E	28.2	Very low	30.6	Very low	146 Å²	146	125.2 Å²	125.2	68%	0.682	74%	0.738	S	S	*	*			trans	80.3	149.5	154.8	-48.2	-99	112.5	0	0	117.4
175	K	28.3	Very low	30.6	Very low	163 Å²	163	125 Å²	125	71%	0.709	73%	0.725	S	S	*	*			cis	-157.5	177.3	-28.4	-95.5	-44.5	-173.6	-70.1	0	105.3
176	A	28.9	Very low	30.9	Very low	78 Å²	78	121.5 Å²	121.5	65%	0.645	70%	0.703	S	S	*	*			cis	-175.8	-174.1	49.6	0	0	0	0	0	112.4
177	L	28.8	Very low	30.6	Very low	161 Å²	161	118.6 Å²	118.6	84%	0.843	69%	0.693	S	S	*	*			trans	76.4	149.2	-177.8	-47.1	-176.9	0	0	0	113.4
178	L	26.6	Very low	30.6	Very low	149 Å²	149	115.5 Å²	115.5	78%	0.78	67%	0.671	S	S	*	*			cis	-149.2	-176.1	-9.7	-125.9	172.9	0	0	0	110.7
179	C	25.1	Very low	30.4	Very low	105 Å²	105	116.6 Å²	116.6	71%	0.709	67%	0.672	S	S	*	*			trans	-136.9	-176	174.6	-50	0	0	0	0	108.7
180	P	37.5	Very low	30.6	Very low	131 Å²	131	113.2 Å²	113.2	85%	0.851	67%	0.666	S	S	*	*			cis	-98.2	177.7	36	-4.2	27	0	0	0	113.3
181	G	29.2	Very low	30.4	Very low	73 Å²	73	115.9 Å²	115.9	75%	0.753	67%	0.669	S	S	*	*			cis	113	142.1	18.9	0	0	0	0	0	109.8
182	S	36.3	Very low	30.2	Very low	88 Å²	88	114 Å²	114	62%	0.615	66%	0.656	S	S	*	*			cis	-157.6	178.1	6.2	66.4	0	0	0	0	108.6
183	K	31.6	Very low	30	Very low	138 Å²	138	117 Å²	117	60%	0.6	66%	0.657	S	S	*	*			cis	-160.4	164.8	30	-146.9	163	-177	180	0	114.5	I108 A109	I108-K183 CarbonylContact O-C 3.21Å; A109-K183 HydrophobicContact CB-CB 4.36Å; A109-K183 PolarHBondContact O-N 3.42Å
184	L	32.3	Very low	29.5	Very low	85 Å²	85	118.2 Å²	118.2	45%	0.445	66%	0.664	S	S	.	*			trans	39.8	148.8	149.7	-94	35.8	0	0	0	120.5	I108	I108-L184 CarbonylContact C-O 3.46Å; I108-L184 VanDerWaalsContact C-O 3.28Å; I108-L184 HydrophobicContact CB-CB 3.99Å; I108-L184 HydrophobicContact CG2-CB 4.34Å; I108-L184 HydrophobicContact CG2-CD2 4.39Å; I108-L184 VanDerWaalsContact N-C 3.34Å; I108-L184 PolarHBondContact N-O 3.32Å; I108-L184 CarbonylContact O-C 3.55Å; I108-L184 WeakPolarHBondContact O-CA 3.34Å; I108-L184 WeakPolarHBondContact O-CB 3.31Å
185	E	30.3	Very low	29.4	Very low	101 Å²	101	115.3 Å²	115.3	47%	0.472	67%	0.665	S	S	.	*			cis	-173.8	-160.2	-15.8	-129.9	179	-128.3	0	0	106.5	S106	S106-E185 VanDerWaalsContact CA-O 3.29Å; S106-E185 WeakPolarHBondContact CA-O 3.5Å; S106-E185 WeakPolarHBondContact CB-O 3.25Å
186	Q	32.4	Very low	29.4	Very low	78 Å²	78	112.8 Å²	112.8	36%	0.364	67%	0.668	S	S	.	*			cis	-163.2	86.3	17.7	-164.4	165.1	82.3	0	0	113.1	K105	K105-Q186 CarbonylContact C-O 3.5Å; K105-Q186 VanDerWaalsContact C-O 3.29Å; K105-Q186 WeakPolarHBondContact CB-O 3.37Å; K105-Q186 HydrophobicContact CD-CB 4.31Å; K105-Q186 HydrophobicContact CD-CG 4.32Å; K105-Q186 WeakPolarHBondContact CD-O 3.24Å; K105-Q186 HydrophobicContact CG-CB 4.17Å; K105-Q186 WeakPolarHBondContact CG-O 3.14Å; K105-Q186 PolarHBondContact NZ-O 2.83Å; K105-Q186 CarbonylContact O-C 3.18Å; K105-Q186 PolarHBondContact O-N 2.81Å; K105-Q186 VanDerWaalsContact O-O 3.07Å
187	T	25.1	Very low	29.4	Very low	91 Å²	91	113.6 Å²	113.6	56%	0.558	68%	0.675	S	S	*	*			trans	62.2	154.7	143.6	64.7	0	0	0	0	124.4	K105	K105-T187 PolarHBondContact N-O 3.12Å; K105-T187 PolarHBondContact NZ-O 2.65Å; K105-T187 PolarHBondContact NZ-OG1 3.19Å
188	S	27.3	Very low	29.3	Very low	49 Å²	49	111 Å²	111	34%	0.343	67%	0.67	S	S	.	*			trans	72	104.6	146.4	71.4	0	0	0	0	118.7	V104 K105	V104-S188 VanDerWaalsContact CB-O 3.27Å; V104-S188 WeakPolarHBondContact CB-O 3.34Å; V104-S188 WeakPolarHBondContact CG1-O 3.3Å; K105-S188 PolarHBondContact NZ-OG 3.42Å
189	D	28	Very low	29.5	Very low	159 Å²	159	111.3 Å²	111.3	85%	0.85	67%	0.672	S	S	*	*				71.3	144.7	55.7	-52.8	-52.5	0	0	0	113.3
190	G	28.8	Very low	29.8	Very low	73 Å²	73	112.1 Å²	112.1	75%	0.753	67%	0.673	S	S	*	*			cis	-178.4	163.3	-3	0	0	0	0	0	113.6
191	N	25.8	Very low	29.5	Very low	140 Å²	140	113.7 Å²	113.7	75%	0.749	67%	0.669	S	S	*	*			trans	23	130.1	169.2	-85.7	32.2	0	0	0	125.6
192	E	24.9	Very low	29.8	Very low	133 Å²	133	114.8 Å²	114.8	62%	0.621	66%	0.658	S	S	*	*				71.1	112.3	128.5	-68.7	-168.9	102.2	0	0	125.3
193	R	26.7	Very low	29.3	Very low	224 Å²	224	118 Å²	118	85%	0.845	67%	0.668	S	S	*	*				61.5	168.8	127.1	-89.2	173.2	166.8	160.5	-9.8	120.6
194	P	37.8	Very low	29.2	Very low	117 Å²	117	118.4 Å²	118.4	76%	0.76	67%	0.671	S	S	*	*			cis	-127.5	-174.3	-16.5	35.9	-16.9	0	0	0	115.2
195	A	25.6	Very low	29.1	Very low	85 Å²	85	123.5 Å²	123.5	70%	0.702	69%	0.686	S	S	*	*			trans	-12.7	145.2	167.5	0	0	0	0	0	124.7
196	S	27.7	Very low	29.8	Very low	110 Å²	110	124.4 Å²	124.4	77%	0.769	70%	0.701	S	S	*	*			trans	81.6	130.5	130.5	61.8	0	0	0	0	123.8
197	A	29.2	Very low	29.7	Very low	95 Å²	95	125.2 Å²	125.2	79%	0.785	72%	0.715	S	S	*	*			trans	69.1	144.6	148.7	0	0	0	0	0	118.7
198	S	28	Very low	29.8	Very low	106 Å²	106	125.1 Å²	125.1	74%	0.741	72%	0.723	S	S	*	*			cis	-166.1	-176.8	-7.3	-109.9	0	0	0	0	111.6
199	L	30	Very low	29.9	Very low	156 Å²	156	127.1 Å²	127.1	82%	0.817	74%	0.743	S	S	*	*			trans	76.7	138.3	177.3	-83.6	63.5	0	0	0	115.4
200	V	30.9	Very low	29.8	Very low	123 Å²	123	124.5 Å²	124.5	75%	0.745	74%	0.737	S	S	*	*			cis	130.7	136.8	9.9	145.2	0	0	0	0	106.2
201	Q	32.3	Very low	29.8	Very low	163 Å²	163	125.8 Å²	125.8	76%	0.762	73%	0.734	S	S	*	*			cis	-149.1	-170.3	14.8	-139.4	-177.6	51.2	0	0	108.2
202	N	34.7	Very low	29.7	Very low	97 Å²	97	126 Å²	126	52%	0.519	74%	0.735	S	S	.	*			cis	-157.3	-155.6	-4.9	-159.8	-18.2	0	0	0	108.9	H204	N202-H204 PolarHBondContact OD1-ND1 3.14Å
203	L	26.5	Very low	29.7	Very low	156 Å²	156	124.3 Å²	124.3	82%	0.817	74%	0.738	S	S	*	*			trans	61.2	72.7	166	-59.1	-179.9	0	0	0	116.1
204	H	29.7	Very low	29.6	Very low	146 Å²	146	119.5 Å²	119.5	68%	0.676	73%	0.734	S	S	*	*				65.6	105.4	79.4	-75.4	75.2	0	0	0	115.1	N202	N202-H204 PolarHBondContact OD1-ND1 3.14Å
205	Y	29	Very low	28.9	Very low	191 Å²	191	119.1 Å²	119.1	75%	0.749	73%	0.734	S	S	*	*				93.5	143.8	66	-98.3	-101.1	0	0	0	111.7
206	P	45.8	Very low	28.9	Very low	121 Å²	121	122.4 Å²	122.4	79%	0.786	74%	0.74	S	S	*	*			cis	-126.2	-115.9	37.8	41.1	-24.1	0	0	0	119.9
207	S	29.2	Very low	30.2	Very low	95 Å²	95	122.9 Å²	122.9	66%	0.664	74%	0.74	S	S	*	*			trans	-158	169.9	-132.9	-69.7	0	0	0	0	110.7
208	A	28.1	Very low	30.7	Very low	88 Å²	88	123.5 Å²	123.5	73%	0.727	74%	0.736	S	S	*	*			cis	-165.5	174.2	-16.2	0	0	0	0	0	106.4
209	A	28.6	Very low	30.5	Very low	92 Å²	92	126.2 Å²	126.2	76%	0.76	74%	0.737	S	S	*	*			cis	73.3	138.1	26	0	0	0	0	0	116.3
210	S	27.6	Very low	30.3	Very low	103 Å²	103	127.1 Å²	127.1	72%	0.72	74%	0.737	S	S	*	*			cis	-172.9	158.4	-18.1	51.8	0	0	0	0	111.6
211	S	27.4	Very low	30.2	Very low	100 Å²	100	125.7 Å²	125.7	70%	0.699	73%	0.729	S	S	*	*			trans	84.4	151.6	152.2	82.3	0	0	0	0	122.9
212	N	24.7	Very low	30.2	Very low	144 Å²	144	126 Å²	126	77%	0.77	73%	0.728	S	S	*	*			trans	77.9	101.2	150.4	-65.7	-5.2	0	0	0	124.5
213	S	24.6	Very low	29.8	Very low	99 Å²	99	127.5 Å²	127.5	69%	0.692	74%	0.74	S	S	*	*				85.5	127	114.1	78.5	0	0	0	0	124
214	T	24.3	Very low	30	Very low	122 Å²	122	125.9 Å²	125.9	75%	0.748	74%	0.737	S	S	*	*			trans	84.8	142.5	143.9	-29.4	0	0	0	0	121
215	S	24.4	Very low	29.9	Very low	109 Å²	109	125.7 Å²	125.7	76%	0.762	75%	0.746	S	S	*	*			trans	78.9	135.8	160	3.7	0	0	0	0	120.6
216	N	24.1	Very low	29.7	Very low	154 Å²	154	119.7 Å²	119.7	82%	0.824	74%	0.742	S	S	*	*			trans	-83.8	175.4	158	-36.1	-59.7	0	0	0	108.8
217	P	55.8	Low	28.7	Very low	121 Å²	121	122 Å²	122	79%	0.786	75%	0.747	S	S	*	*			cis	-121.1	-137.3	6.9	31.1	-4.9	0	0	0	109.3
218	P	40.1	Very low	28.5	Very low	107 Å²	107	123 Å²	123	70%	0.695	75%	0.753	S	S	*	*			cis	-141.8	-165.6	-7	46.8	-26.8	0	0	0	116.5
219	E	23.8	Very low	28.8	Very low	163 Å²	163	126.6 Å²	126.6	76%	0.762	75%	0.754	S	S	*	*			trans	1.9	125.6	143.3	-80.8	160	-158.7	0	0	119.1
220	E	26.1	Very low	28.8	Very low	175 Å²	175	129 Å²	129	82%	0.818	76%	0.76	S	S	*	*				78.5	140.2	82.4	-82.7	-164	-152.4	0	0	114.2
221	T	28.6	Very low	29.1	Very low	93 Å²	93	133.3 Å²	133.3	57%	0.571	77%	0.766	S	S	*	*			cis	-123.5	-149.6	1.5	42.5	0	0	0	0	108.9
222	K	31.7	Very low	29.2	Very low	171 Å²	171	133.1 Å²	133.1	74%	0.743	77%	0.765	S	S	*	*			cis	-163.9	175.7	5.4	-142	154.1	-144.9	150.6	0	111
223	T	26.5	Very low	29.5	Very low	127 Å²	127	133 Å²	133	78%	0.779	77%	0.769	S	S	*	*			trans	65.2	139	172.5	52.3	0	0	0	0	116.5
224	T	29.6	Very low	29.7	Very low	123 Å²	123	133 Å²	133	76%	0.755	78%	0.775	S	S	*	*			cis	-142.8	129.8	10.4	-25.7	0	0	0	0	113
225	V	27.8	Very low	29.8	Very low	141 Å²	141	131.1 Å²	131.1	86%	0.855	77%	0.772	S	S	*	*			trans	24.3	136.7	142.4	-171.5	0	0	0	0	120.7
226	G	25.2	Very low	30.2	Very low	65 Å²	65	133.8 Å²	133.8	67%	0.67	77%	0.772	S	S	*	*			trans	-103.3	-129.1	177.8	0	0	0	0	0	116.6
227	L	24.9	Very low	31.4	Very low	171 Å²	171	131 Å²	131	90%	0.895	76%	0.763	S	S	*	*			trans	73.4	153.1	-156.8	-102.4	63.4	0	0	0	113.2
228	C	25.4	Very low	30.3	Very low	115 Å²	115	133.7 Å²	133.7	78%	0.777	77%	0.765	S	S	*	*			cis	-140.6	-173.3	10.5	-152.6	0	0	0	0	113.8
229	Q	34.2	Very low	30	Very low	163 Å²	163	131.9 Å²	131.9	76%	0.762	77%	0.766	S	S	*	*			trans	-100	165.7	-169.6	-52.7	172.6	5.6	0	0	114.4
230	T	27.7	Very low	30.2	Very low	143 Å²	143	129.9 Å²	129.9	88%	0.877	77%	0.77	S	S	*	*			trans	-159.2	169.7	132	2.8	0	0	0	0	113.7
231	K	33.6	Very low	30.5	Very low	193 Å²	193	129.6 Å²	129.6	84%	0.839	77%	0.772	S	S	*	*			trans	-85.9	177.7	-158.9	-55	174.5	179.5	173.5	0	112.9
232	S	30.8	Very low	30.6	Very low	97 Å²	97	131 Å²	131	68%	0.678	78%	0.781	S	S	*	*			cis	-162.9	143.9	23.4	53.9	0	0	0	0	116.3
233	T	31	Very low	30.5	Very low	140 Å²	140	128.5 Å²	128.5	86%	0.859	78%	0.78	S	S	*	*			trans	48.2	135.6	149.1	45.5	0	0	0	0	121
234	A	28.6	Very low	30.6	Very low	99 Å²	99	130.2 Å²	130.2	82%	0.818	78%	0.783	S	S	*	*			cis	-161.6	-173.8	-6.7	0	0	0	0	0	107.1
235	A	27.1	Very low	30.4	Very low	84 Å²	84	129.5 Å²	129.5	69%	0.694	78%	0.783	S	S	*	*			cis	-148.6	170.3	3.2	0	0	0	0	0	107.1
236	Q	32.8	Very low	31.6	Very low	164 Å²	164	128.4 Å²	128.4	77%	0.766	78%	0.779	S	S	*	*			cis	78.7	137.5	22.6	-63.6	-68.5	-4.5	0	0	116.4
237	P	48.4	Very low	31.8	Very low	97 Å²	97	129.5 Å²	129.5	63%	0.63	78%	0.781	S	S	*	*			cis	-138.2	169.6	-2.1	45.3	-28.6	0	0	0	118.3
238	Q	32.9	Very low	32.2	Very low	176 Å²	176	128.3 Å²	128.3	82%	0.822	78%	0.775	S	S	*	*			trans	62.8	146.6	164	-48.1	-46	-34.7	0	0	119.1
239	G	33.1	Very low	32.7	Very low	69 Å²	69	131.5 Å²	131.5	71%	0.711	78%	0.776	S	S	*	*			cis	179.2	149.8	-7	0	0	0	0	0	111.5
240	S	28.1	Very low	32.6	Very low	121 Å²	121	129.6 Å²	129.6	85%	0.846	78%	0.78	S	S	*	*			trans	-100.1	125.9	-178.8	57.2	0	0	0	0	112.3
241	I	33.2	Very low	33.4	Very low	169 Å²	169	132 Å²	132	87%	0.867	78%	0.779	S	S	*	*			trans	-123.2	158.1	161.5	-65.5	-176.6	0	0	0	108.6
242	T	30	Very low	33.4	Very low	124 Å²	124	127.3 Å²	127.3	76%	0.761	78%	0.776	S	S	*	*			trans	-95.5	-173.9	-156.4	42.6	0	0	0	0	114.3
243	V	30.6	Very low	33.5	Very low	117 Å²	117	128.8 Å²	128.8	71%	0.709	78%	0.78	S	S	*	*			trans	93.2	109.5	156.7	-170	0	0	0	0	118.1
244	L	28.7	Very low	33.4	Very low	164 Å²	164	130.1 Å²	130.1	86%	0.859	78%	0.777	S	S	*	*			trans	63.9	154.5	148.5	-63.8	169.7	0	0	0	122.6
245	S	24.9	Very low	33.9	Very low	107 Å²	107	132.1 Å²	132.1	75%	0.748	77%	0.772	S	S	*	*			trans	-84.7	-174.9	175.1	-14.7	0	0	0	0	111.9
246	P	52.5	Low	34.1	Very low	119 Å²	119	135.7 Å²	135.7	77%	0.773	78%	0.778	S	S	*	*			cis	-133	-162.3	-18.4	37	-17.5	0	0	0	112.4
247	A	30.2	Very low	34.4	Very low	87 Å²	87	133.3 Å²	133.3	72%	0.719	78%	0.777	S	S	*	*			trans	67.9	168.1	156.8	0	0	0	0	0	117.4
248	I	32.3	Very low	33.8	Very low	146 Å²	146	133.9 Å²	133.9	75%	0.749	78%	0.783	S	S	*	*			cis	-155.8	142	-31	-111.8	167.8	0	0	0	107.3
249	F	37.1	Very low	34.3	Very low	183 Å²	183	131 Å²	131	80%	0.803	78%	0.78	S	S	*	*			trans	38	119.8	161.3	-77.4	-116.3	0	0	0	121.8
250	S	32.2	Very low	34.8	Very low	123 Å²	123	133.9 Å²	133.9	86%	0.86	79%	0.786	S	S	*	*			trans	-149.2	168.3	131.7	72	0	0	0	0	110.7
251	K	43.6	Very low	35.5	Very low	194 Å²	194	138.3 Å²	138.3	84%	0.843	79%	0.79	S	S	*	*			trans	-134.5	132.9	-178.6	-69.1	175.1	-178.5	167.2	0	111.2
252	A	32.8	Very low	35.5	Very low	94 Å²	94	134 Å²	134	78%	0.777	79%	0.787	S	S	*	*			trans	-160.7	134.1	145.6	0	0	0	0	0	112.6
253	V	33.6	Very low	35.8	Very low	128 Å²	128	137.9 Å²	137.9	78%	0.776	79%	0.793	S	S	*	*			trans	9.7	130.8	130.7	-170.3	0	0	0	0	115.3
254	Q	29.2	Very low	36.3	Very low	168 Å²	168	140.2 Å²	140.2	79%	0.785	80%	0.801	S	S	*	*				-165.1	169.4	67.6	-153.1	152.4	30.9	0	0	116.7
255	I	39.2	Very low	36.8	Very low	141 Å²	141	138.2 Å²	138.2	72%	0.723	80%	0.798	S	S	*	*			trans	-44.7	140.5	178.4	-57.5	152	0	0	0	116.5
256	I	31.7	Very low	37.4	Very low	159 Å²	159	140.9 Å²	140.9	82%	0.815	80%	0.802	S	S	*	*			trans	-136	146.1	150.2	-69.9	-172	0	0	0	109.8
257	P	38.6	Very low	36.6	Very low	114 Å²	114	142.4 Å²	142.4	74%	0.74	80%	0.803	S	S	*	*			trans	-90	-179.6	-166.4	-9	29.8	0	0	0	116.6
258	S	35.5	Very low	37.1	Very low	109 Å²	109	143.9 Å²	143.9	76%	0.762	81%	0.805	S	S	*	*			trans	-80.6	141.9	179.8	54.9	0	0	0	0	115.1
259	P	44.2	Very low	37	Very low	116 Å²	116	148.1 Å²	148.1	75%	0.753	81%	0.813	S	S	*	*			trans	-76.8	162.3	171.7	31.9	-35	0	0	0	113.9
260	P	43.7	Very low	36.8	Very low	128 Å²	128	144.1 Å²	144.1	83%	0.831	81%	0.814	S	S	*	*			trans	-92	176.7	-160.4	36.7	-38.3	0	0	0	116.3
261	K	41.1	Very low	37	Very low	214 Å²	214	148 Å²	148	93%	0.93	82%	0.815	S	S	*	*			trans	-79.1	134	-178.5	-59.3	165.2	-175.4	166.8	0	111.8
262	G	34.1	Very low	36.5	Very low	78 Å²	78	148.1 Å²	148.1	80%	0.804	82%	0.821	S	S	*	*			trans	-141.2	143.4	165.3	0	0	0	0	0	110.9
263	K	37.1	Very low	36.5	Very low	207 Å²	207	153 Å²	153	90%	0.9	83%	0.825	S	S	*	*			trans	-110.1	137.3	177.5	-65.5	177.4	-178.6	173.1	0	109.8
264	L	40.5	Very low	36.4	Very low	165 Å²	165	152.6 Å²	152.6	86%	0.864	83%	0.828	S	S	*	*			trans	-103	141.3	167.5	-66.9	174.8	0	0	0	110.2
265	P	39.8	Very low	36.5	Very low	123 Å²	123	149.9 Å²	149.9	80%	0.799	83%	0.828	S	S	*	*			trans	-78.7	150.4	178.4	32.6	-34.8	0	0	0	112.1
266	I	36.5	Very low	36.5	Very low	163 Å²	163	151.2 Å²	151.2	84%	0.836	84%	0.835	S	S	*	*			trans	-115	121.5	174.1	-60.5	175.4	0	0	0	108.3
267	L	36.6	Very low	36.5	Very low	150 Å²	150	151.4 Å²	151.4	79%	0.785	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-84.5	150.9	174.8	-73.6	172	0	0	0	111.8
268	P	39.8	Very low	37	Very low	119 Å²	119	151.7 Å²	151.7	77%	0.773	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-81.8	137.4	-171.1	31.8	-35.3	0	0	0	113.4	A270	P268-A270 PolarHBondContact O-N 3.37Å
269	Y	30.5	Very low	36.7	Very low	235 Å²	235	150.8 Å²	150.8	92%	0.922	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-74.1	122.3	172	-87.3	-97.8	0	0	0	111.9
270	A	33.5	Very low	36	Very low	98 Å²	98	150.9 Å²	150.9	81%	0.81	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-78.6	157.6	176.3	0	0	0	0	0	112.9	P268	P268-A270 PolarHBondContact O-N 3.37Å
271	K	34.7	Very low	35.4	Very low	206 Å²	206	153.7 Å²	153.7	90%	0.896	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-89.8	119.7	-179.6	-63.5	169.1	-175.4	166.8	0	110.5	K273	K271-K273 PolarHBondContact O-N 2.9Å
272	M	34.2	Very low	34.8	Very low	195 Å²	195	150.1 Å²	150.1	96%	0.961	83%	0.825	S	S	*	*			trans	-79.1	112.3	175.4	-161.4	148	78	0	0	111.2
273	K	32.7	Very low	34.4	Very low	196 Å²	196	151.2 Å²	151.2	85%	0.852	82%	0.82	S	S	*	*			trans	-105.9	135.9	160.1	-80.5	-174.4	173.5	-176.5	0	107.9	K271	K271-K273 PolarHBondContact O-N 2.9Å
274	S	32	Very low	33.9	Very low	120 Å²	120	145.9 Å²	145.9	84%	0.839	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-69.8	133.5	176.5	50.4	0	0	0	0	111.6
275	S	29.9	Very low	33.2	Very low	112 Å²	112	145.5 Å²	145.5	78%	0.783	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-73.9	159	173.7	36.6	0	0	0	0	112.9
276	L	39	Very low	32.6	Very low	169 Å²	169	144.8 Å²	144.8	89%	0.885	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-98.4	159.8	164.1	-67.3	168	0	0	0	109.2
277	I	32	Very low	33.1	Very low	163 Å²	163	142.9 Å²	142.9	84%	0.836	80%	0.803	S	S	*	*			trans	-126.5	144.2	162.4	-74	-177.4	0	0	0	108.5
278	P	50.4	Low	32.6	Very low	120 Å²	120	142.8 Å²	142.8	78%	0.779	80%	0.799	S	S	*	*			trans	-130.7	171.6	-149.4	42.2	-26.5	0	0	0	115.9
279	A	28.9	Very low	32	Very low	90 Å²	90	145.9 Å²	145.9	74%	0.744	80%	0.795	S	S	*	*			trans	-175.2	148.1	150.2	0	0	0	0	0	110.1
280	T	29	Very low	31.8	Very low	117 Å²	117	144 Å²	144	72%	0.718	79%	0.792	S	S	*	*			cis	-165.4	142.8	-20.7	24.4	0	0	0	0	109.3
281	K	32.1	Very low	31.4	Very low	187 Å²	187	143 Å²	143	81%	0.813	79%	0.791	S	S	*	*			trans	66.9	154.3	151.2	-71.1	177.9	-179.2	-178.9	0	117.2
282	L	26.7	Very low	31	Very low	139 Å²	139	143.3 Å²	143.3	73%	0.728	79%	0.793	S	S	*	*			cis	-151.9	154.3	4.1	-121.9	157.2	0	0	0	110.2
283	S	25.9	Very low	30.5	Very low	101 Å²	101	140.1 Å²	140.1	71%	0.706	79%	0.789	S	S	*	*			trans	59.8	159.7	156.6	-56.7	0	0	0	0	121.4
284	S	26.3	Very low	30.1	Very low	96 Å²	96	134.3 Å²	134.3	67%	0.671	79%	0.785	S	S	*	*				177.1	151.6	-57.3	49.5	0	0	0	0	110.5
285	L	26.1	Very low	30.2	Very low	156 Å²	156	138 Å²	138	82%	0.817	79%	0.789	S	S	*	*			trans	96.9	108.3	162.8	-60.7	171.2	0	0	0	120.8
286	S	26.8	Very low	30	Very low	109 Å²	109	137.8 Å²	137.8	76%	0.762	79%	0.794	S	S	*	*			trans	47.4	139.6	132.5	57.4	0	0	0	0	124.2
287	P	48.7	Very low	29.3	Very low	122 Å²	122	133.1 Å²	133.1	79%	0.792	79%	0.786	S	S	*	*			trans	-107.8	154.8	173.2	40.6	-33.1	0	0	0	115.5
288	E	24.7	Very low	29.2	Very low	149 Å²	149	131.5 Å²	131.5	70%	0.696	78%	0.783	S	S	*	*			trans	178.2	163.1	149.9	-97.8	-156.3	140.3	0	0	106.4
289	R	27.5	Very low	28	Very low	183 Å²	183	134.8 Å²	134.8	69%	0.691	79%	0.786	S	S	*	*			cis	-157.8	165.2	5.5	-132.3	172	-161.5	162.4	26.6	111.2
290	K	27.7	Very low	27.8	Very low	195 Å²	195	137.1 Å²	137.1	85%	0.848	79%	0.791	S	S	*	*			trans	28.3	133.7	151.7	-74.5	178.9	175.7	-175.8	0	121.6
291	G	25.1	Very low	27.6	Very low	78 Å²	78	137.1 Å²	137.1	80%	0.804	80%	0.796	S	S	*	*			trans	175.8	128	152.6	0	0	0	0	0	112.4
292	F	24.4	Very low	27.2	Very low	212 Å²	212	131.3 Å²	131.3	93%	0.93	79%	0.789	S	S	*	*			trans	-126.4	139	-177.2	-112.2	-79.8	0	0	0	111.7
293	C	25.1	Very low	27.2	Very low	129 Å²	129	131.7 Å²	131.7	87%	0.872	79%	0.792	S	S	*	*			trans	62.5	142.1	153	-149.7	0	0	0	0	120.5
294	G	25	Very low	27.2	Very low	74 Å²	74	132 Å²	132	76%	0.763	79%	0.789	S	S	*	*			trans	166.6	115.2	168.7	0	0	0	0	0	112.1
295	Q	33.4	Very low	27.2	Very low	198 Å²	198	133.8 Å²	133.8	93%	0.925	80%	0.796	S	S	*	*			trans	-122.6	140.6	171.3	-71.4	-177.6	-21.8	0	0	109.5
296	A	25.6	Very low	27.4	Very low	107 Å²	107	131.8 Å²	131.8	88%	0.884	80%	0.796	S	S	*	*			trans	157.2	159.8	144.8	0	0	0	0	0	112.4
297	G	25.1	Very low	27.8	Very low	70 Å²	70	135.7 Å²	135.7	72%	0.722	80%	0.799	S	S	*	*			trans	86.3	117.1	171	0	0	0	0	0	114.9
298	V	28.3	Very low	26.7	Very low	130 Å²	130	137.2 Å²	137.2	79%	0.788	80%	0.801	S	S	*	*			cis	94.5	80.3	10.2	-167.3	0	0	0	0	116.6
299	F	26	Very low	26.9	Very low	188 Å²	188	137.5 Å²	137.5	83%	0.825	80%	0.803	S	S	*	*			trans	74.3	151.4	143.2	-80	-92.4	0	0	0	124.6
300	T	25.1	Very low	26.9	Very low	139 Å²	139	135.7 Å²	135.7	85%	0.853	80%	0.803	S	S	*	*			trans	70.8	151.1	166.4	60.1	0	0	0	0	119.7
301	S	23.5	Very low	27	Very low	117 Å²	117	133 Å²	133	82%	0.818	80%	0.798	S	S	*	*			cis	-170.8	138	-27.8	-173.9	0	0	0	0	111.8
302	G	24.7	Very low	27.2	Very low	65 Å²	65	133 Å²	133	67%	0.67	79%	0.79	S	S	*	*			trans	69	161.9	170.7	0	0	0	0	0	117.1
303	D	25.4	Very low	27.4	Very low	148 Å²	148	131.3 Å²	131.3	79%	0.791	79%	0.785	S	S	*	*			cis	-158.2	-153.5	-30.8	-135.9	-115.6	0	0	0	106.7
304	T	26.7	Very low	27.6	Very low	107 Å²	107	131.3 Å²	131.3	66%	0.656	78%	0.781	S	S	*	*			cis	-159.8	151.9	10.5	-22	0	0	0	0	110.9
305	T	27	Very low	27.8	Very low	133 Å²	133	135.7 Å²	135.7	82%	0.816	79%	0.786	S	S	*	*			trans	66.3	159.5	170.2	75.6	0	0	0	0	116.7
306	S	30.9	Very low	27.6	Very low	115 Å²	115	136.3 Å²	136.3	80%	0.804	78%	0.78	S	S	*	*			cis	-139.8	179.8	7.6	-161.6	0	0	0	0	113.1
307	K	33.4	Very low	27.8	Very low	190 Å²	190	139 Å²	139	83%	0.826	77%	0.774	S	S	*	*			trans	-91.3	153.8	-161.2	-53.9	172.8	-177.5	176.4	0	115
308	N	27.1	Very low	28	Very low	155 Å²	155	142.9 Å²	142.9	83%	0.829	78%	0.778	S	S	*	*				-159.2	149.2	120.1	-112.4	-24.3	0	0	0	114.4
309	M	28.3	Very low	28.1	Very low	154 Å²	154	145.4 Å²	145.4	76%	0.759	78%	0.781	S	S	*	*			trans	-7.1	151.1	166.9	-62.2	179.2	83.7	0	0	121.2
310	E	28.1	Very low	28.3	Very low	145 Å²	145	142.1 Å²	142.1	68%	0.678	78%	0.777	S	S	*	*			cis	-165.7	167.5	-16.7	-171.7	161.3	153.2	0	0	110.3
311	N	28.3	Very low	28.3	Very low	138 Å²	138	142.4 Å²	142.4	74%	0.738	77%	0.772	S	S	*	*			trans	-18.9	157.4	168.5	-54.3	-42.1	0	0	0	119.2
312	A	30.2	Very low	28.5	Very low	78 Å²	78	143.5 Å²	143.5	65%	0.645	77%	0.769	S	S	*	*			cis	-151.2	155.9	28.5	0	0	0	0	0	116.6
313	E	27.5	Very low	28.6	Very low	177 Å²	177	146.4 Å²	146.4	83%	0.827	78%	0.779	S	S	*	*			trans	42.8	114.5	142.3	-63.7	171.3	137.1	0	0	120.4
314	V	29.9	Very low	28.8	Very low	130 Å²	130	148.9 Å²	148.9	79%	0.788	78%	0.782	S	S	*	*				82.4	106.3	55.8	174.7	0	0	0	0	113.9
315	L	29.2	Very low	29.6	Very low	165 Å²	165	149.6 Å²	149.6	86%	0.864	79%	0.789	S	S	*	*				-156.8	164.4	109.5	-154.9	58	0	0	0	111.3
316	R	29.1	Very low	29.4	Very low	212 Å²	212	148.8 Å²	148.8	80%	0.8	79%	0.789	S	S	*	*			trans	-90.8	162.7	-179.6	-64.5	174.5	164.3	-175.3	-3.9	112.1
317	Q	30.2	Very low	29.3	Very low	164 Å²	164	150.5 Å²	150.5	77%	0.766	79%	0.788	S	S	*	*				148	151.3	96.4	-152.6	133.3	-40.6	0	0	112.6
318	N	30.2	Very low	29.2	Very low	150 Å²	150	147.2 Å²	147.2	80%	0.802	78%	0.784	S	S	*	*			trans	-86.3	141.9	173.2	-58.6	-58.8	0	0	0	110.8
319	Q	30.2	Very low	29.4	Very low	183 Å²	183	145.6 Å²	145.6	86%	0.855	78%	0.782	S	S	*	*				173.1	133.4	125	-94.7	178	28.5	0	0	114.2
320	V	29.1	Very low	29.4	Very low	120 Å²	120	144.6 Å²	144.6	73%	0.727	78%	0.784	S	S	*	*			trans	59.9	139	131.7	-175.9	0	0	0	0	122.3
321	L	26.2	Very low	29.4	Very low	145 Å²	145	143.5 Å²	143.5	76%	0.759	79%	0.787	S	S	*	*			trans	100.1	127.4	153.8	-127.8	71.1	0	0	0	122.3
322	N	26.4	Very low	29.4	Very low	140 Å²	140	145.3 Å²	145.3	75%	0.749	80%	0.796	S	S	*	*			trans	16	122.8	151.9	-61.2	-15	0	0	0	122.2
323	S	27.3	Very low	29.4	Very low	125 Å²	125	150.5 Å²	150.5	87%	0.874	81%	0.807	S	S	*	*				175.3	176.7	109.3	50.4	0	0	0	0	113
324	K	30.6	Very low	29.6	Very low	200 Å²	200	151.4 Å²	151.4	87%	0.87	81%	0.808	S	S	*	*			trans	-131.2	173	178	-70	178.3	-179.7	173.2	0	108.3
325	P	42.9	Very low	29.8	Very low	123 Å²	123	150.7 Å²	150.7	80%	0.799	81%	0.806	S	S	*	*			cis	-132.6	165.8	-42.5	37.3	-22.8	0	0	0	113
326	S	23.3	Very low	30	Very low	115 Å²	115	149 Å²	149	80%	0.804	81%	0.805	S	S	*	*			trans	-163.9	176.3	153.3	-153.8	0	0	0	0	114.2
327	L	28	Very low	30.2	Very low	151 Å²	151	142.2 Å²	142.2	79%	0.791	80%	0.801	S	S	*	*			trans	-80.1	170.7	175.9	-56.6	90.8	0	0	0	110.4
328	V	30.4	Very low	30.7	Very low	121 Å²	121	144.3 Å²	144.3	73%	0.733	81%	0.808	S	S	*	*			cis	-153.1	147.7	35.4	175.9	0	0	0	0	110.1
329	P	31.3	Very low	31	Very low	121 Å²	121	147.1 Å²	147.1	79%	0.786	81%	0.813	S	S	*	*			trans	-84.6	134.7	174.6	33.1	-34.1	0	0	0	113.4
330	V	29.6	Very low	31.2	Very low	134 Å²	134	150.4 Å²	150.4	81%	0.812	82%	0.817	S	S	*	*			trans	-114.5	129.2	171	178.2	0	0	0	0	111.3
331	T	27.7	Very low	31.3	Very low	122 Å²	122	147.8 Å²	147.8	75%	0.748	82%	0.815	S	S	*	*			trans	-37.5	136.1	-176.8	52.3	0	0	0	0	118.3
332	L	27.7	Very low	32.4	Very low	175 Å²	175	152.7 Å²	152.7	92%	0.916	82%	0.823	S	S	*	*			trans	-110.7	134.2	144.1	-147.5	83	0	0	0	109.3
333	Q	29.9	Very low	33.5	Very low	187 Å²	187	155.3 Å²	155.3	87%	0.874	83%	0.828	S	S	*	*			trans	-79.4	158	-172.8	-60.8	-170.3	17.2	0	0	113
334	K	31.5	Very low	34.7	Very low	196 Å²	196	161 Å²	161	85%	0.852	83%	0.83	S	S	*	*			trans	-135.3	132.4	-177.2	-155.9	166.1	-169.9	165.9	0	110.1
335	P	34.3	Very low	36.1	Very low	116 Å²	116	156.9 Å²	156.9	75%	0.753	81%	0.812	S	S	*	*			trans	-68.1	151.6	-169.6	25.5	-34.7	0	0	0	113.5	G337	P335-G337 PolarHBondContact O-N 3.43Å; P335-G337 VanDerWaalsContact O-N 3.16Å
336	P	33.5	Very low	37.5	Very low	129 Å²	129	154.6 Å²	154.6	84%	0.838	80%	0.796	S	S	*	*			trans	-76	105.4	-167.5	28.7	-35.3	0	0	0	113.8	K338	P336-K338 PolarHBondContact O-N 2.85Å
337	G	34.9	Very low	39.4	Very low	70 Å²	70	155.4 Å²	155.4	72%	0.722	79%	0.789	S	S	*	*			trans	-62.9	122.6	168.3	0	0	0	0	0	112.2	P335 K339	P335-G337 PolarHBondContact O-N 3.43Å; P335-G337 VanDerWaalsContact O-N 3.16Å; G337-K339 PolarHBondContact O-N 2.88Å; G337-K339 VanDerWaalsContact O-N 3.16Å
338	K	39	Very low	41.5	Very low	208 Å²	208	155 Å²	155	90%	0.904	78%	0.783	S	S	*	*			trans	-61.5	113.3	-172.4	-63.6	175.5	-178.1	177	0	112	P336 R340	P336-K338 PolarHBondContact O-N 2.85Å; K338-R340 PolarHBondContact O-N 3.34Å
339	K	37.6	Very low	43.7	Very low	208 Å²	208	152.1 Å²	152.1	90%	0.904	76%	0.763	S	S	*	*			trans	-60.1	108.2	174	-71	179.4	179.9	174.5	0	110.1	G337 G341	G337-K339 PolarHBondContact O-N 2.88Å; G337-K339 VanDerWaalsContact O-N 3.16Å; K339-G341 PolarHBondContact O-N 2.91Å
340	R	33.6	Very low	45.8	Very low	252 Å²	252	149.8 Å²	149.8	95%	0.951	74%	0.744	S	S	*	*			trans	-71.9	94.8	178.9	-158.3	179.4	-162.5	-159.5	6.1	109.8	K338 R342	K338-R340 PolarHBondContact O-N 3.34Å; R340-R342 PolarHBondContact O-N 3.3Å
341	G	32.3	Very low	48	Very low	65 Å²	65	147.7 Å²	147.7	67%	0.67	73%	0.727	S	S	*	*			trans	-53.5	127.6	-172.6	0	0	0	0	0	113.5	K339 K343	K339-G341 PolarHBondContact O-N 2.91Å; G341-K343 PolarHBondContact O-N 3.15Å
342	R	47.8	Very low	50.6	Low	248 Å²	248	143.6 Å²	143.6	94%	0.936	71%	0.706	S	S	*	*			trans	-66.7	98.8	170.4	-167.9	-176.3	-161.1	-177.2	7.2	107.5	R340 R344	R340-R342 PolarHBondContact O-N 3.3Å; R342-R344 PolarHBondContact O-N 2.82Å
343	K	49.6	Very low	52.7	Low	195 Å²	195	141.5 Å²	141.5	85%	0.848	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-47.1	129.4	178	-77.5	-167.8	174.2	-170.4	0	109.2	G341 K345	G341-K343 PolarHBondContact O-N 3.15Å; K343-K345 PolarHBondContact O-N 2.83Å
344	R	53.5	Low	54.7	Low	246 Å²	246	136.5 Å²	136.5	93%	0.928	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-57.2	128.1	168.5	-68.2	-179.9	177.5	172.8	-1.3	107	R342	R342-R344 PolarHBondContact O-N 2.82Å
345	K	60.8	Low	56.5	Low	112 Å²	112	129.5 Å²	129.5	49%	0.487	65%	0.645	S	S	.	*	P	Polyproline II helix	trans	-62.1	141	171	-76.2	-179.6	153	-91.8	0	108.4	K343 D349 I350	K343-K345 PolarHBondContact O-N 2.83Å; K345-D349 HydrophobicContact CB-CB 4.32Å; K345-D349 WeakPolarHBondContact CE-OD2 3.28Å; K345-D349 WeakPolarHBondContact CG-OD2 3.43Å; K345-D349 PolarHBondContact NZ-O 2.97Å; K345-D349 VanDerWaalsContact NZ-O 3.12Å; K345-D349 IonicContact NZ-OD1 3.91Å; K345-D349 PolarHBondContact NZ-OD1 3.48Å; K345-D349 IonicContact NZ-OD2 2.78Å; K345-D349 PolarHBondContact NZ-OD2 3.17Å; K345-I350 HydrophobicContact CB-CG1 4Å; K345-I350 HydrophobicContact CD-CG1 4.48Å
346	T	71.8	Confident	58.2	Low	76 Å²	76	131.5 Å²	131.5	47%	0.466	64%	0.638	S	S	.	*	P	Polyproline II helix	trans	-67.3	160.7	169.4	62.7	0	0	0	0	109.6	E348 D349 I350	T346-E348 PolarHBondContact O-N 3.49Å; T346-E348 PolarHBondContact OG1-OE2 3.48Å; T346-D349 PolarHBondContact O-N 3.42Å; T346-D349 PolarHBondContact OG1-N 3.22Å; T346-I350 PolarHBondContact O-N 2.7Å; T346-I350 VanDerWaalsContact O-N 3.16Å
347	M	61.7	Low	59.6	Low	132 Å²	132	131.5 Å²	131.5	65%	0.65	62%	0.624	S	S	*	*	H	α-helix	trans	-55.8	-38.3	176	-172.6	62	176.2	0	0	111.2	D349 I350 L351	M347-D349 PolarHBondContact O-N 2.66Å; M347-I350 WeakPolarHBondContact O-CB 3.49Å; M347-I350 PolarHBondContact O-N 3.34Å; M347-L351 HydrophobicContact CE-CD1 4.37Å; M347-L351 HydrophobicContact CE-CD2 4.45Å; M347-L351 HydrophobicContact CE-CG 4.41Å; M347-L351 HydrophobicContact CG-CD1 4.05Å; M347-L351 HydrophobicContact CG-CG 4.48Å; M347-L351 WeakPolarHBondContact O-CG 3.42Å; M347-L351 PolarHBondContact O-N 3.33Å
348	E	73.3	Confident	60.9	Low	141 Å²	141	134.7 Å²	134.7	66%	0.659	62%	0.619	S	S	*	*	H	α-helix	trans	-62.6	-38.8	176	-54.9	144	153.4	0	0	112.3	T346 I350 L351 A352	T346-E348 PolarHBondContact O-N 3.49Å; T346-E348 PolarHBondContact OG1-OE2 3.48Å; E348-I350 VanDerWaalsContact C-N 3.27Å; E348-I350 PolarHBondContact O-N 3.49Å; E348-L351 PolarHBondContact O-N 3.27Å; E348-A352 WeakPolarHBondContact O-CB 3.47Å; E348-A352 PolarHBondContact O-N 3.38Å
349	D	75.6	Confident	61.7	Low	61 Å²	61	133.7 Å²	133.7	33%	0.326	61%	0.609	S	S	.	*	H	α-helix	trans	-79.8	-10.6	-179.5	-167.5	38.2	0	0	0	113	K345 T346 M347	K345-D349 HydrophobicContact CB-CB 4.32Å; K345-D349 WeakPolarHBondContact CE-OD2 3.28Å; K345-D349 WeakPolarHBondContact CG-OD2 3.43Å; K345-D349 PolarHBondContact NZ-O 2.97Å; K345-D349 VanDerWaalsContact NZ-O 3.12Å; K345-D349 IonicContact NZ-OD1 3.91Å; K345-D349 PolarHBondContact NZ-OD1 3.48Å; K345-D349 IonicContact NZ-OD2 2.78Å; K345-D349 PolarHBondContact NZ-OD2 3.17Å; T346-D349 PolarHBondContact O-N 3.42Å; T346-D349 PolarHBondContact OG1-N 3.22Å; M347-D349 PolarHBondContact O-N 2.66Å
350	I	76	Confident	62.2	Low	73 Å²	73	127 Å²	127	37%	0.374	59%	0.588	S	S	.	*	H	α-helix	trans	-84.4	-51.7	163.8	-62.2	170.8	0	0	0	109.3	K345 T346 M347 E348 A352 F353 E354	K345-I350 HydrophobicContact CB-CG1 4Å; K345-I350 HydrophobicContact CD-CG1 4.48Å; T346-I350 PolarHBondContact O-N 2.7Å; T346-I350 VanDerWaalsContact O-N 3.16Å; M347-I350 WeakPolarHBondContact O-CB 3.49Å; M347-I350 PolarHBondContact O-N 3.34Å; E348-I350 VanDerWaalsContact C-N 3.27Å; E348-I350 PolarHBondContact O-N 3.49Å; I350-A352 VanDerWaalsContact C-N 3.3Å; I350-A352 PolarHBondContact O-N 2.92Å; I350-F353 CarbonylContact O-C 3.29Å; I350-F353 WeakPolarHBondContact O-CA 3.4Å; I350-F353 WeakPolarHBondContact O-CB 3.4Å; I350-F353 PolarHBondContact O-N 3.18Å; I350-E354 PolarHBondContact O-N 3.22Å
351	L	76.9	Confident	62.8	Low	89 Å²	89	120.1 Å²	120.1	47%	0.466	57%	0.57	S	S	.	*	H	α-helix	trans	-60.1	-37.2	177.7	-69.2	170.8	0	0	0	112.4	M347 E348 F353 E354 A355	M347-L351 HydrophobicContact CE-CD1 4.37Å; M347-L351 HydrophobicContact CE-CD2 4.45Å; M347-L351 HydrophobicContact CE-CG 4.41Å; M347-L351 HydrophobicContact CG-CD1 4.05Å; M347-L351 HydrophobicContact CG-CG 4.48Å; M347-L351 WeakPolarHBondContact O-CG 3.42Å; M347-L351 PolarHBondContact O-N 3.33Å; E348-L351 PolarHBondContact O-N 3.27Å; L351-F353 VanDerWaalsContact C-N 3.3Å; L351-F353 PolarHBondContact O-N 3.11Å; L351-E354 PolarHBondContact O-N 3.14Å; L351-A355 VanDerWaalsContact O-CB 3.29Å; L351-A355 WeakPolarHBondContact O-CB 3.47Å; L351-A355 PolarHBondContact O-N 2.85Å
352	A	80.6	Confident	63.3	Low	37 Å²	37	120 Å²	120	31%	0.306	56%	0.559	S	S	.	*	H	α-helix	trans	-72.9	-20.5	174.3	0	0	0	0	0	113	E348 I350 R356	E348-A352 WeakPolarHBondContact O-CB 3.47Å; E348-A352 PolarHBondContact O-N 3.38Å; I350-A352 VanDerWaalsContact C-N 3.3Å; I350-A352 PolarHBondContact O-N 2.92Å; A352-R356 WeakPolarHBondContact O-CG 3.37Å; A352-R356 PolarHBondContact O-N 3.13Å; A352-R356 PolarHBondContact O-NE 2.98Å
353	F	73.1	Confident	63.1	Low	131 Å²	131	116.6 Å²	116.6	58%	0.575	55%	0.551	S	S	*	*	H	α-helix	trans	-79.6	-41.7	169.1	-177.4	-101.8	0	0	0	110.6	I350 L351 R356 K357	I350-F353 CarbonylContact O-C 3.29Å; I350-F353 WeakPolarHBondContact O-CA 3.4Å; I350-F353 WeakPolarHBondContact O-CB 3.4Å; I350-F353 PolarHBondContact O-N 3.18Å; L351-F353 VanDerWaalsContact C-N 3.3Å; L351-F353 PolarHBondContact O-N 3.11Å; F353-R356 PolarHBondContact O-N 3.32Å; F353-K357 WeakPolarHBondContact O-CB 3.47Å; F353-K357 PolarHBondContact O-N 3.18Å
354	E	70.6	Confident	62.8	Low	82 Å²	82	116 Å²	116	38%	0.383	55%	0.549	S	S	.	.	H	α-helix	trans	-65.6	-39.3	173.7	-69.4	-165.5	179	0	0	113.3	I350 L351 R356 K357 K358	I350-E354 PolarHBondContact O-N 3.22Å; L351-E354 PolarHBondContact O-N 3.14Å; E354-R356 VanDerWaalsContact C-N 3.31Å; E354-R356 PolarHBondContact O-N 3.43Å; E354-K357 WeakPolarHBondContact O-CB 3.48Å; E354-K357 PolarHBondContact O-N 3.11Å; E354-K358 WeakPolarHBondContact O-CB 3.09Å; E354-K358 WeakPolarHBondContact O-CG 3.49Å; E354-K358 PolarHBondContact O-N 2.87Å; E354-K358 IonicContact OE2-NZ 2.78Å
355	A	70.5	Confident	62.2	Low	49 Å²	49	115.2 Å²	115.2	41%	0.405	55%	0.546	S	S	.	.	H	α-helix	trans	-63.3	-37.8	174	0	0	0	0	0	111.5	L351 R359	L351-A355 VanDerWaalsContact O-CB 3.29Å; L351-A355 WeakPolarHBondContact O-CB 3.47Å; L351-A355 PolarHBondContact O-N 2.85Å; A355-R359 WeakPolarHBondContact O-CB 3.36Å; A355-R359 PolarHBondContact O-N 2.86Å
356	R	69.9	Low	61.4	Low	158 Å²	158	120.6 Å²	120.6	60%	0.596	56%	0.563	S	S	*	*	H	α-helix	trans	-66	-44.2	171.6	-81.6	178.3	-89.7	-160.6	-4.1	111.6	A352 F353 E354 R359 S360	A352-R356 WeakPolarHBondContact O-CG 3.37Å; A352-R356 PolarHBondContact O-N 3.13Å; A352-R356 PolarHBondContact O-NE 2.98Å; F353-R356 PolarHBondContact O-N 3.32Å; E354-R356 VanDerWaalsContact C-N 3.31Å; E354-R356 PolarHBondContact O-N 3.43Å; R356-R359 PolarHBondContact O-N 3.17Å; R356-S360 PolarHBondContact O-N 3.35Å; R356-S360 PolarHBondContact O-OG 3.16Å
357	K	63.6	Low	60	Low	128 Å²	128	128.5 Å²	128.5	56%	0.557	58%	0.584	S	S	*	*	H	α-helix	trans	-60.1	-45.7	174.6	-173.3	-177.2	177.3	-173	0	112.3	F353 E354 S360 L361	F353-K357 WeakPolarHBondContact O-CB 3.47Å; F353-K357 PolarHBondContact O-N 3.18Å; E354-K357 WeakPolarHBondContact O-CB 3.48Å; E354-K357 PolarHBondContact O-N 3.11Å; K357-S360 WeakPolarHBondContact CA-OG 3.27Å; K357-S360 PolarHBondContact O-N 3.32Å; K357-S360 PolarHBondContact O-OG 2.92Å; K357-L361 WeakPolarHBondContact O-CG 3.47Å; K357-L361 PolarHBondContact O-N 2.95Å; K357-L361 VanDerWaalsContact O-N 3.16Å
358	K	60.5	Low	58.8	Low	138 Å²	138	127.9 Å²	127.9	60%	0.6	59%	0.588	S	S	*	*	H	α-helix	trans	-64	-43.1	176.8	-74.9	169.4	176.6	166.3	0	111.2	E354 L361 S362	E354-K358 WeakPolarHBondContact O-CB 3.09Å; E354-K358 WeakPolarHBondContact O-CG 3.49Å; E354-K358 PolarHBondContact O-N 2.87Å; E354-K358 IonicContact OE2-NZ 2.78Å; K358-L361 PolarHBondContact O-N 3.49Å; K358-S362 PolarHBondContact O-N 3.18Å
359	R	57.5	Low	57	Low	186 Å²	186	127.2 Å²	127.2	70%	0.702	60%	0.596	S	S	*	*	H	α-helix	trans	-59.7	-46	172.5	-81.8	-176.4	177.8	158.6	3	112.5	A355 R356 L361 S362 F363	A355-R359 WeakPolarHBondContact O-CB 3.36Å; A355-R359 PolarHBondContact O-N 2.86Å; R356-R359 PolarHBondContact O-N 3.17Å; R359-L361 VanDerWaalsContact C-N 3.26Å; R359-L361 PolarHBondContact O-N 3.08Å; R359-S362 WeakPolarHBondContact CA-OG 3.47Å; R359-S362 PolarHBondContact O-N 3.11Å; R359-S362 PolarHBondContact O-OG 3.35Å; R359-F363 WeakPolarHBondContact O-CD2 3.41Å; R359-F363 PolarHBondContact O-N 3.2Å
360	S	46.5	Very low	54.9	Low	67 Å²	67	132.7 Å²	132.7	47%	0.469	62%	0.62	S	S	.	*	H	α-helix	trans	-61.6	-30.7	177.5	46.7	0	0	0	0	114.1	R356 K357	R356-S360 PolarHBondContact O-N 3.35Å; R356-S360 PolarHBondContact O-OG 3.16Å; K357-S360 WeakPolarHBondContact CA-OG 3.27Å; K357-S360 PolarHBondContact O-N 3.32Å; K357-S360 PolarHBondContact O-OG 2.92Å
361	L	46.9	Very low	53.2	Low	108 Å²	108	138.4 Å²	138.4	57%	0.565	64%	0.642	S	S	*	*	H	α-helix	trans	-79.2	-33.5	175.6	-66.4	171.3	0	0	0	112.4	K357 K358 R359 F363 F364	K357-L361 WeakPolarHBondContact O-CG 3.47Å; K357-L361 PolarHBondContact O-N 2.95Å; K357-L361 VanDerWaalsContact O-N 3.16Å; K358-L361 PolarHBondContact O-N 3.49Å; R359-L361 VanDerWaalsContact C-N 3.26Å; R359-L361 PolarHBondContact O-N 3.08Å; L361-F363 PolarHBondContact O-N 3.26Å; L361-F364 PolarHBondContact O-N 3.41Å
362	S	43.5	Very low	51.5	Low	63 Å²	63	139.6 Å²	139.6	44%	0.441	66%	0.655	S	S	.	*	H	α-helix	trans	-63.5	-23.3	178.4	65.9	0	0	0	0	114.4	K358 R359 F364 R365	K358-S362 PolarHBondContact O-N 3.18Å; R359-S362 WeakPolarHBondContact CA-OG 3.47Å; R359-S362 PolarHBondContact O-N 3.11Å; R359-S362 PolarHBondContact O-OG 3.35Å; S362-F364 VanDerWaalsContact C-N 3.29Å; S362-F364 PolarHBondContact O-N 3.15Å; S362-R365 PolarHBondContact O-N 3.49Å
363	F	42.8	Very low	49.5	Very low	176 Å²	176	144.3 Å²	144.3	77%	0.772	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.4	-18.7	172.8	-84.5	-77.2	0	0	0	114.1	R359 L361	R359-F363 WeakPolarHBondContact O-CD2 3.41Å; R359-F363 PolarHBondContact O-N 3.2Å; L361-F363 PolarHBondContact O-N 3.26Å
364	F	44.3	Very low	47.7	Very low	182 Å²	182	142.3 Å²	142.3	80%	0.798	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.2	-12.1	175.6	-76.6	-87.4	0	0	0	113.7	L361 S362	L361-F364 PolarHBondContact O-N 3.41Å; S362-F364 VanDerWaalsContact C-N 3.29Å; S362-F364 PolarHBondContact O-N 3.15Å
365	R	40.7	Very low	45.9	Very low	230 Å²	230	145.3 Å²	145.3	87%	0.868	71%	0.713	S	S	*	*	S	Bend	trans	-108.9	39	-179.6	-76.6	-79.5	-170.5	166.5	-0.1	112.7	S362	S362-R365 PolarHBondContact O-N 3.49Å
366	R	42.7	Very low	44.5	Very low	226 Å²	226	150.3 Å²	150.3	85%	0.853	73%	0.732	S	S	*	*			trans	-144.3	66.3	170.3	-75.8	-163.2	176.7	-169.7	-0.8	113
367	R	42.9	Very low	43.1	Very low	241 Å²	241	148.7 Å²	148.7	91%	0.909	74%	0.742	S	S	*	*	S	Bend	trans	-154.8	42.3	156	-146.4	-171.2	-71.2	-160.2	-0.2	115.4
368	V	36.4	Very low	41.5	Very low	119 Å²	119	145.8 Å²	145.8	72%	0.721	75%	0.748	S	S	*	*			trans	-134.2	121.2	155.5	-169.5	0	0	0	0	107.1	E370	V368-E370 HydrophobicContact CG1-CG 3.78Å
369	P	36.6	Very low	40.2	Very low	127 Å²	127	148.9 Å²	148.9	83%	0.825	76%	0.762	S	S	*	*			trans	-99.1	83.1	166.7	34.5	-25.3	0	0	0	109.2
370	E	30.2	Very low	38.9	Very low	177 Å²	177	148.9 Å²	148.9	83%	0.827	77%	0.767	S	S	*	*			trans	-67.1	145	168.4	-68.4	-176.3	171.2	0	0	110.2	V368	V368-E370 HydrophobicContact CG1-CG 3.78Å
371	K	39.9	Very low	38.2	Very low	193 Å²	193	152.7 Å²	152.7	84%	0.839	78%	0.778	S	S	*	*			trans	-138.4	109.6	-173.7	-164.5	-177.5	-177	-168.8	0	107.8
372	P	41.3	Very low	37.5	Very low	114 Å²	114	155.4 Å²	155.4	74%	0.74	79%	0.785	S	S	*	*			trans	-67.8	151.7	-175.4	28.1	-34.9	0	0	0	111.2
373	P	39.2	Very low	36.9	Very low	135 Å²	135	159.3 Å²	159.3	88%	0.877	80%	0.796	S	S	*	*			trans	-69.5	142.7	176.8	29.8	-34.6	0	0	0	110.9
374	A	34.6	Very low	36.7	Very low	90 Å²	90	157.1 Å²	157.1	74%	0.744	80%	0.797	S	S	*	*			trans	-132.3	120	173.6	0	0	0	0	0	109.4
375	V	33.5	Very low	36.1	Very low	144 Å²	144	153.8 Å²	153.8	87%	0.873	79%	0.787	S	S	*	*			trans	-71.4	140.9	175.6	177.9	0	0	0	0	109.6
376	I	40.4	Very low	35.9	Very low	155 Å²	155	151.1 Å²	151.1	80%	0.795	79%	0.789	S	S	*	*			trans	-106	124.7	-179.2	-60	173.8	0	0	0	110.2
377	P	41.7	Very low	36	Very low	123 Å²	123	143 Å²	143	80%	0.799	77%	0.766	S	S	*	*				-132.4	147.6	125.5	36	-26.9	0	0	0	111.4
378	G	30.1	Very low	35.9	Very low	68 Å²	68	140 Å²	140	70%	0.701	76%	0.76	S	S	*	*			cis	-167.2	-172.3	-0.9	0	0	0	0	0	111.7
379	F	31.6	Very low	36	Very low	203 Å²	203	144.3 Å²	144.3	89%	0.89	77%	0.769	S	S	*	*			trans	-57.6	148.6	-178.4	-83.7	-125.6	0	0	0	112.8
380	K	31.1	Very low	35.9	Very low	185 Å²	185	148.9 Å²	148.9	80%	0.804	77%	0.771	S	S	*	*				-167.9	163.4	63.5	-79.1	-179.4	-175.4	177.3	0	109.3
381	Q	32.3	Very low	36.1	Very low	148 Å²	148	152.1 Å²	152.1	69%	0.692	78%	0.776	S	S	*	*			cis	-174.7	159.8	-19.9	-167.5	-173.7	-0.2	0	0	107.2
382	K	31.9	Very low	36	Very low	164 Å²	164	148 Å²	148	71%	0.713	77%	0.767	S	S	*	*			trans	71.3	150.8	169.1	-67.8	-176.5	169.6	-92.3	0	118.3
383	E	30.8	Very low	35.9	Very low	146 Å²	146	150.6 Å²	150.6	68%	0.682	77%	0.773	S	S	*	*			cis	-164.6	136.6	-24	-163.5	158.1	167.6	0	0	111.4
384	V	38.2	Very low	35.9	Very low	130 Å²	130	154.3 Å²	154.3	79%	0.788	77%	0.77	S	S	*	*			trans	30.8	117.5	158.9	-175.7	0	0	0	0	122.1
385	D	32	Very low	36.1	Very low	111 Å²	111	155.7 Å²	155.7	59%	0.594	77%	0.771	S	S	*	*				-177.4	124	101.3	-173.4	15.4	0	0	0	111.6	S387	D385-S387 VanDerWaalsContact OD1-CB 3.23Å; D385-S387 WeakPolarHBondContact OD1-CB 3.36Å; D385-S387 PolarHBondContact OD1-N 2.97Å; D385-S387 PolarHBondContact OD1-OG 3.34Å; D385-S387 VanDerWaalsContact OD1-OG 3.06Å; D385-S387 PolarHBondContact OD2-OG 3.33Å
386	I	37.1	Very low	36.2	Very low	175 Å²	175	158.1 Å²	158.1	90%	0.897	77%	0.77	S	S	*	*			trans	-134.5	50.2	163.2	-44.4	-178.4	0	0	0	110.2
387	S	44	Very low	36	Very low	55 Å²	55	156.7 Å²	156.7	39%	0.385	77%	0.771	S	S	.	*			trans	-66.8	135.7	165.8	64.7	0	0	0	0	110.8	D385	D385-S387 VanDerWaalsContact OD1-CB 3.23Å; D385-S387 WeakPolarHBondContact OD1-CB 3.36Å; D385-S387 PolarHBondContact OD1-N 2.97Å; D385-S387 PolarHBondContact OD1-OG 3.34Å; D385-S387 VanDerWaalsContact OD1-OG 3.06Å; D385-S387 PolarHBondContact OD2-OG 3.33Å
388	K	42.1	Very low	35.7	Very low	177 Å²	177	159.2 Å²	159.2	77%	0.77	77%	0.774	S	S	*	*			trans	74.8	88.3	172.8	-41.5	128.1	-169.8	137.2	0	117.3
389	K	38.1	Very low	36	Very low	210 Å²	210	164.1 Å²	164.1	91%	0.913	78%	0.783	S	S	*	*				-163.2	22.6	128.2	-109.4	159.3	-170.3	172.4	0	118.5
390	Y	34.4	Very low	36.6	Very low	223 Å²	223	161.1 Å²	161.1	88%	0.875	78%	0.781	S	S	*	*			trans	-92.3	119.1	155.8	-86.7	-86.8	0	0	0	110.2
391	R	34.4	Very low	36.8	Very low	245 Å²	245	160 Å²	160	93%	0.925	78%	0.781	S	S	*	*			trans	-103.5	97.4	157.6	-88.1	-167.3	173.9	-170.6	-0.5	108.1
392	T	38.4	Very low	37	Very low	106 Å²	106	161.3 Å²	161.3	65%	0.65	79%	0.787	S	S	*	*			trans	-66.4	129.2	171.4	40.3	0	0	0	0	110	R394	T392-R394 PolarHBondContact O-N 2.96Å; T392-R394 VanDerWaalsContact O-N 3.14Å
393	I	38.5	Very low	37.1	Very low	170 Å²	170	159.2 Å²	159.2	87%	0.872	79%	0.788	S	S	*	*			trans	-81.2	91	169.2	-58.4	176.9	0	0	0	106.8
394	R	39.1	Very low	37.4	Very low	212 Å²	212	158.2 Å²	158.2	80%	0.8	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-71.5	133.2	166.1	-72.1	-174.3	175.4	-176.7	-1.7	108.9	T392	T392-R394 PolarHBondContact O-N 2.96Å; T392-R394 VanDerWaalsContact O-N 3.14Å
395	P	38.2	Very low	37.3	Very low	119 Å²	119	157.3 Å²	157.3	77%	0.773	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-62.7	147.6	162.2	29	-33.2	0	0	0	109.3
396	K	36.6	Very low	37.4	Very low	195 Å²	195	161.3 Å²	161.3	85%	0.848	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-82.3	145.2	171.5	-74.9	-176.5	176	-174.1	0	109.7
397	P	35.7	Very low	37.1	Very low	125 Å²	125	161 Å²	161	81%	0.812	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-64.2	143.7	167.2	29.6	-34.4	0	0	0	109.8
398	M	35.7	Very low	36.6	Very low	176 Å²	176	164.2 Å²	164.2	87%	0.867	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-88.3	124.9	166.2	-73.7	-176.9	60.7	0	0	108.8	V400	M398-V400 PolarHBondContact O-N 2.7Å
399	L	36.6	Very low	36	Very low	172 Å²	172	161.5 Å²	161.5	90%	0.901	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-73.4	117.2	161.8	-76.2	164.4	0	0	0	107.5
400	V	42.8	Very low	35.5	Very low	139 Å²	139	159.1 Å²	159.1	84%	0.842	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-72.7	122.5	164.7	179.7	0	0	0	0	106.4	M398	M398-V400 PolarHBondContact O-N 2.7Å
401	M	36.1	Very low	36.3	Very low	163 Å²	163	153.4 Å²	153.4	80%	0.803	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-100.8	121.9	170.5	-153.1	-177.7	92.3	0	0	108.7
402	E	36.8	Very low	35.9	Very low	175 Å²	175	147.8 Å²	147.8	82%	0.818	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-75.6	135.7	-177.4	-168.7	166	-149.4	0	0	110.2
403	T	34.3	Very low	35.4	Very low	119 Å²	119	148.4 Å²	148.4	73%	0.73	81%	0.806	S	S	*	*			trans	-130.8	118.3	172.8	44.9	0	0	0	0	109.1
404	V	36.5	Very low	34.9	Very low	126 Å²	126	146.4 Å²	146.4	76%	0.764	80%	0.802	S	S	*	*			trans	-72.8	139.1	-172.9	178.6	0	0	0	0	110.1
405	P	36.7	Very low	34.4	Very low	110 Å²	110	140.6 Å²	140.6	71%	0.714	79%	0.794	S	S	*	*			trans	-69.3	139.7	175.2	29.1	-35.4	0	0	0	111.7
406	Q	32.6	Very low	34	Very low	196 Å²	196	142.3 Å²	142.3	92%	0.916	80%	0.796	S	S	*	*			trans	-108.1	155.2	160	-85.3	-170.2	-27.4	0	0	110.8
407	L	31.4	Very low	33.6	Very low	167 Å²	167	135.8 Å²	135.8	87%	0.874	79%	0.785	S	S	*	*			trans	-99.1	168.3	-154.4	-69.9	166.1	0	0	0	114.3
408	V	33.7	Very low	33.4	Very low	124 Å²	124	138.1 Å²	138.1	75%	0.752	79%	0.785	S	S	*	*			trans	-49.7	147.2	179.7	177.3	0	0	0	0	114
409	S	28.4	Very low	33	Very low	120 Å²	120	136.3 Å²	136.3	84%	0.839	77%	0.774	S	S	*	*			trans	-150.3	130.8	147.1	-77.6	0	0	0	0	112.2
410	L	28	Very low	32.8	Very low	159 Å²	159	135.9 Å²	135.9	83%	0.832	77%	0.768	S	S	*	*			trans	-155.8	160.8	172.5	-82.4	174.1	0	0	0	106.1
411	P	51	Low	32.2	Very low	104 Å²	104	136.1 Å²	136.1	68%	0.675	76%	0.76	S	S	*	*			cis	-125.9	-165.6	-41.4	34.4	-16.9	0	0	0	110.2
412	T	26.4	Very low	32	Very low	126 Å²	126	134.4 Å²	134.4	77%	0.773	75%	0.753	S	S	*	*			trans	147.1	133.3	130.8	50.2	0	0	0	0	118
413	V	28.5	Very low	31.6	Very low	119 Å²	119	132.2 Å²	132.2	72%	0.721	75%	0.746	S	S	*	*			trans	83	142.2	133.1	166.7	0	0	0	0	123.1
414	T	28.1	Very low	31.5	Very low	129 Å²	129	133.7 Å²	133.7	79%	0.791	75%	0.749	S	S	*	*			trans	65.9	150.8	166.6	48.2	0	0	0	0	119.9
415	S	27.6	Very low	31	Very low	89 Å²	89	131.3 Å²	131.3	62%	0.622	75%	0.75	S	S	*	*			cis	-169.4	155.6	-31.4	-154.3	0	0	0	0	110
416	D	29.7	Very low	30.9	Very low	155 Å²	155	133.7 Å²	133.7	83%	0.829	75%	0.751	S	S	*	*			trans	57.7	154.3	161.1	-55.7	-61.2	0	0	0	119.5
417	G	29.5	Very low	30.8	Very low	59 Å²	59	131 Å²	131	61%	0.608	74%	0.739	S	S	*	*			cis	172.4	155.5	-8.8	0	0	0	0	0	112.1
418	Q	30.8	Very low	30.7	Very low	173 Å²	173	129.9 Å²	129.9	81%	0.808	73%	0.732	S	S	*	*			trans	59.2	157	167.3	-75.2	156.7	-97	0	0	117.5
419	E	28.5	Very low	30.3	Very low	139 Å²	139	128.2 Å²	128.2	65%	0.65	73%	0.726	S	S	*	*			cis	-137.8	156.7	-0.9	-110.8	130.8	-145	0	0	107.7
420	Q	31.8	Very low	30.2	Very low	162 Å²	162	128.8 Å²	128.8	76%	0.757	73%	0.725	S	S	*	*				55.5	135.9	80.2	-101.4	173.7	-63.7	0	0	113.7
421	E	30.1	Very low	30.2	Very low	144 Å²	144	126.7 Å²	126.7	67%	0.673	72%	0.723	S	S	*	*			cis	-154.8	167.5	22	-101.8	-164	140.7	0	0	114.2
422	L	31.6	Very low	29	Very low	127 Å²	127	126.8 Å²	126.8	67%	0.665	73%	0.733	S	S	*	*			trans	30.9	158.5	133.9	-54.6	-176.9	0	0	0	122.4
423	L	29	Very low	29	Very low	130 Å²	130	126.9 Å²	126.9	68%	0.681	73%	0.734	S	S	*	*			cis	-161.1	137.1	-9.3	-101	162.3	0	0	0	106.8
424	L	31.7	Very low	29	Very low	150 Å²	150	128.2 Å²	128.2	79%	0.785	74%	0.742	S	S	*	*				67.2	121.2	95.6	-155.2	161.9	0	0	0	117.5
425	G	27.2	Very low	29.2	Very low	75 Å²	75	132 Å²	132	77%	0.773	75%	0.748	S	S	*	*			trans	149	107.3	173.1	0	0	0	0	0	113
426	H	33.3	Very low	29.2	Very low	160 Å²	160	132.1 Å²	132.1	74%	0.741	75%	0.754	S	S	*	*			cis	123.4	135.4	3.9	-150.9	-136.3	0	0	0	110.7
427	Q	31.5	Very low	29.1	Very low	141 Å²	141	131.9 Å²	131.9	66%	0.659	75%	0.752	S	S	*	*			trans	86.8	120.9	173.4	-49.1	-66.5	34.6	0	0	122.5
428	L	29.2	Very low	28.8	Very low	142 Å²	142	135.6 Å²	135.6	74%	0.743	76%	0.758	S	S	*	*				38.7	149.8	119.9	-52.7	171.8	0	0	0	121.1
429	S	24.8	Very low	28.6	Very low	89 Å²	89	133.5 Å²	133.5	62%	0.622	76%	0.761	S	S	*	*			cis	-176.9	-178.8	-10.7	-101.3	0	0	0	0	111.3
430	T	26.2	Very low	28.8	Very low	132 Å²	132	132.2 Å²	132.2	81%	0.81	77%	0.768	S	S	*	*			trans	95.9	121	155.2	72.6	0	0	0	0	121.8
431	S	26.8	Very low	29	Very low	115 Å²	115	129.7 Å²	129.7	80%	0.804	77%	0.765	S	S	*	*			trans	15	134	146.3	58.3	0	0	0	0	124
432	A	26	Very low	29.5	Very low	106 Å²	106	132 Å²	132	88%	0.876	78%	0.776	S	S	*	*				-153.8	158.4	127.4	0	0	0	0	0	111.6
433	T	27.5	Very low	29.3	Very low	129 Å²	129	132.5 Å²	132.5	79%	0.791	78%	0.784	S	S	*	*			trans	-108.3	150	-178.6	53	0	0	0	0	113.1
434	T	27.7	Very low	29.3	Very low	147 Å²	147	130.1 Å²	130.1	90%	0.902	78%	0.783	S	S	*	*				179	176	126	26.5	0	0	0	0	112
435	K	33.2	Very low	29.4	Very low	207 Å²	207	128.8 Å²	128.8	90%	0.9	78%	0.784	S	S	*	*			trans	-119.1	142.6	-179.8	-52.1	171.8	-177.9	174.8	0	110.3
436	A	27.4	Very low	29.6	Very low	92 Å²	92	131.1 Å²	131.1	76%	0.76	78%	0.783	S	S	*	*			trans	-179.5	143.4	135.2	0	0	0	0	0	113.9
437	L	26.6	Very low	29.7	Very low	150 Å²	150	129 Å²	129	79%	0.785	78%	0.781	S	S	*	*			trans	44.1	135.7	150.8	-88.2	66.8	0	0	0	123.8
438	D	24.9	Very low	29.8	Very low	138 Å²	138	129.5 Å²	129.5	74%	0.738	79%	0.788	S	S	*	*			trans	39.6	112.2	135.6	-56.3	-23.9	0	0	0	121.3
439	C	25	Very low	30	Very low	129 Å²	129	130.8 Å²	130.8	87%	0.872	79%	0.79	S	S	*	*				-158.6	150.6	103.6	-101	0	0	0	0	113
440	S	33.4	Very low	30.5	Very low	112 Å²	112	134.8 Å²	134.8	78%	0.783	80%	0.803	S	S	*	*			trans	-106.5	131.8	163.4	176	0	0	0	0	109.6
441	P	36.4	Very low	30.9	Very low	108 Å²	108	140.1 Å²	140.1	70%	0.701	81%	0.808	S	S	*	*			trans	-115.8	141.4	147.9	33.7	-26.2	0	0	0	111
442	Q	39.3	Very low	31.4	Very low	192 Å²	192	139.3 Å²	139.3	90%	0.897	81%	0.809	S	S	*	*			trans	-82.7	141.7	162.4	-68	-172.1	32.5	0	0	109.6
443	T	28.2	Very low	31.7	Very low	138 Å²	138	137.9 Å²	137.9	85%	0.847	80%	0.804	S	S	*	*			trans	-126.6	149.3	169.6	-46.5	0	0	0	0	110.8
444	A	28.4	Very low	32	Very low	80 Å²	80	137.5 Å²	137.5	66%	0.661	81%	0.807	S	S	*	*			trans	-56.6	160.2	-167.8	0	0	0	0	0	116.3
445	P	34.4	Very low	32.3	Very low	122 Å²	122	137.9 Å²	137.9	79%	0.792	80%	0.803	S	S	*	*			trans	-67	134.1	176.5	28.4	-36.2	0	0	0	112.4	T447	P445-T447 PolarHBondContact O-N 3.39Å
446	V	32.2	Very low	32.4	Very low	124 Å²	124	133.5 Å²	133.5	75%	0.752	80%	0.796	S	S	*	*			trans	-76.8	115.4	175.5	-178.6	0	0	0	0	110.5	L448	V446-L448 HydrophobicContact CG1-CG 4.14Å; V446-L448 PolarHBondContact O-N 2.66Å
447	T	34.3	Very low	32.8	Very low	116 Å²	116	138.4 Å²	138.4	71%	0.712	80%	0.8	S	S	*	*			trans	-83	88.4	172	-56.7	0	0	0	0	110	P445	P445-T447 PolarHBondContact O-N 3.39Å
448	L	34.3	Very low	33.5	Very low	152 Å²	152	137 Å²	137	80%	0.796	80%	0.797	S	S	*	*			trans	-80.4	119.5	168	-85.4	171	0	0	0	110.7	V446	V446-L448 HydrophobicContact CG1-CG 4.14Å; V446-L448 PolarHBondContact O-N 2.66Å
449	H	33	Very low	34.1	Very low	169 Å²	169	137.6 Å²	137.6	78%	0.782	79%	0.794	S	S	*	*			trans	-76.2	124.9	170.7	-77.3	-116.4	0	0	0	110.1
450	L	36.2	Very low	34.8	Very low	173 Å²	173	139.1 Å²	139.1	91%	0.906	79%	0.791	S	S	*	*			trans	-121.3	130.1	160.8	-82.3	165.9	0	0	0	108.4
451	R	33.6	Very low	35.4	Very low	244 Å²	244	137 Å²	137	92%	0.921	79%	0.787	S	S	*	*			trans	-92.7	129.9	-166.8	-168.9	176.6	-172.1	167.2	1.1	110.1
452	A	37.9	Very low	36	Very low	98 Å²	98	135.9 Å²	135.9	81%	0.81	78%	0.782	S	S	*	*			trans	22.7	143.9	155.6	0	0	0	0	0	120.9
453	G	31.5	Very low	37	Very low	76 Å²	76	136.1 Å²	136.1	78%	0.784	78%	0.775	S	S	*	*			cis	-151.7	128.3	32.4	0	0	0	0	0	117.5
454	S	34.8	Very low	39.1	Very low	120 Å²	120	134.4 Å²	134.4	84%	0.839	77%	0.766	S	S	*	*	S	Bend	trans	-142.5	140.7	133.6	58.7	0	0	0	0	106.9
455	N	33.1	Very low	41.6	Very low	155 Å²	155	135.4 Å²	135.4	83%	0.829	76%	0.76	S	S	*	*			trans	-60.3	139.3	-166.4	-77.8	-56.4	0	0	0	112.8	K457	N455-K457 VanDerWaalsContact C-N 3.28Å; N455-K457 PolarHBondContact O-N 3.04Å
456	P	34.5	Very low	43.9	Very low	115 Å²	115	132.6 Å²	132.6	75%	0.747	74%	0.736	S	S	*	*			trans	-73.8	78.5	-177.7	31.7	-36.1	0	0	0	111.3	V458	P456-V458 PolarHBondContact O-N 2.87Å
457	K	37.8	Very low	46.4	Very low	195 Å²	195	134.9 Å²	134.9	85%	0.848	73%	0.731	S	S	*	*			trans	-64	102.4	166	-171.7	167.4	-172.7	168.9	0	107.9	N455 F459	N455-K457 VanDerWaalsContact C-N 3.28Å; N455-K457 PolarHBondContact O-N 3.04Å; K457-F459 PolarHBondContact O-N 2.81Å
458	V	40.1	Very low	49	Very low	120 Å²	120	129.4 Å²	129.4	73%	0.727	70%	0.697	S	S	*	*			trans	-56.2	93.7	-173.3	173.5	0	0	0	0	110.8	P456 I460	P456-V458 PolarHBondContact O-N 2.87Å; V458-I460 HydrophobicContact CG1-CD1 4.08Å; V458-I460 HydrophobicContact CG1-CG1 3.87Å; V458-I460 PolarHBondContact O-N 2.63Å
459	F	37.2	Very low	51.3	Low	152 Å²	152	127 Å²	127	67%	0.667	69%	0.694	S	S	*	*			trans	-94.5	79.3	-178.7	-153.3	-72.5	0	0	0	109.6	K457 G461 S462	K457-F459 PolarHBondContact O-N 2.81Å; F459-G461 PolarHBondContact O-N 2.73Å; F459-S462 PolarHBondContact O-N 3.49Å; F459-S462 PolarHBondContact O-OG 2.78Å
460	I	41	Very low	53.8	Low	160 Å²	160	123.9 Å²	123.9	82%	0.821	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.5	104.7	174.3	-68.4	159.1	0	0	0	108.4	V458	V458-I460 HydrophobicContact CG1-CD1 4.08Å; V458-I460 HydrophobicContact CG1-CG1 3.87Å; V458-I460 PolarHBondContact O-N 2.63Å
461	G	44.7	Very low	56.1	Low	67 Å²	67	118.6 Å²	118.6	69%	0.691	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	111.1	11.4	178.5	0	0	0	0	0	117	F459 R463	F459-G461 PolarHBondContact O-N 2.73Å; G461-R463 PolarHBondContact O-N 3.04Å
462	S	49.7	Very low	58.4	Low	86 Å²	86	112.9 Å²	112.9	60%	0.601	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-66.4	120.4	173.6	55.5	0	0	0	0	111.6	F459	F459-S462 PolarHBondContact O-N 3.49Å; F459-S462 PolarHBondContact O-OG 2.78Å
463	R	60.3	Low	60.5	Low	197 Å²	197	116.1 Å²	116.1	74%	0.743	64%	0.637	S	S	*	*	P	Polyproline II helix	trans	-72.1	147.6	174.8	-73.7	178.6	171.8	138.7	-2.2	110.5	G461 L465	G461-R463 PolarHBondContact O-N 3.04Å; R463-L465 PolarHBondContact O-N 3.1Å
464	P	71.6	Confident	63.2	Low	102 Å²	102	115.3 Å²	115.3	66%	0.662	62%	0.619	S	S	*	*	P	Polyproline II helix	trans	-60.6	130.9	-179	24.6	-34.4	0	0	0	111.8	H466	P464-H466 PolarHBondContact O-N 3.27Å
465	L	82.4	Confident	65.7	Low	100 Å²	100	111.4 Å²	111.4	52%	0.524	59%	0.587	S	S	.	*	P	Polyproline II helix	trans	-71.7	125.5	176.2	-73.6	162.9	0	0	0	110.2	R463 R467	R463-L465 PolarHBondContact O-N 3.1Å; L465-R467 PolarHBondContact O-N 2.91Å
466	H	82.2	Confident	68.3	Low	63 Å²	63	110.1 Å²	110.1	29%	0.292	58%	0.576	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-82.6	113.7	178.1	-61.7	-78.3	0	0	0	110	P464 F475 F477 K478 L481	P464-H466 PolarHBondContact O-N 3.27Å; H466-F475 PolarHBondContact N-O 3.13Å; H466-F475 PolarHBondContact O-N 3.48Å; H466-F477 VanDerWaalsContact CD2-C 3.4Å; H466-K478 PolarHBondContact CD2-N 3.38Å; H466-K478 PolarHBondContact NE2-N 3.22Å; H466-L481 HydrophobicContact CB-CB 4.12Å; H466-L481 HydrophobicContact CB-CD2 3.79Å
467	R	84.8	Confident	70.7	Confident	172 Å²	172	108.1 Å²	108.1	65%	0.649	56%	0.556	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-88.3	142.4	179.9	-62	-163.8	165.5	104.9	-5.4	112.2	L465 L481	L465-R467 PolarHBondContact O-N 2.91Å; R467-L481 WeakPolarHBondContact O-CD2 3.48Å
468	C	89	Confident	73	Confident	1 Å²	1	105.9 Å²	105.9	1%	0.007	55%	0.546	C	S	.	.			trans	-73.9	125.7	166.6	174	0	0	0	0	110.3	I470 C471 N472 R473 F475 L481 H484 M485	C468-I470 VanDerWaalsContact C-N 3.28Å; C468-I470 PolarHBondContact O-N 3.07Å; C468-I470 PolarHBondContact SG-N 3.01Å; C468-C471 PolarHBondContact SG-N 3.38Å; C468-N472 WeakPolarHBondContact O-CA 3.46Å; C468-N472 PolarHBondContact O-N 2.86Å; C468-R473 HydrophobicContact CB-CB 4.28Å; C468-R473 VanDerWaalsContact CB-O 3.29Å; C468-R473 WeakPolarHBondContact CB-O 3.4Å; C468-R473 PolarHBondContact N-O 2.92Å; C468-F475 HydrophobicContact CB-CE2 4.33Å; C468-L481 HydrophobicContact CB-CD1 4.01Å; C468-H484 PolarHBondContact SG-NE2 3.18Å; C468-H484 VanDerWaalsContact SG-NE2 3.37Å; C468-M485 HydrophobicContact CB-CE 4.05Å; C468-M485 WeakPolarHBondContact SG-CE 3.28Å
469	S	82	Confident	75	Confident	103 Å²	103	105.2 Å²	105.2	72%	0.72	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-14.8	177.9	47.4	0	0	0	0	114.4
470	I	84.6	Confident	77.3	Confident	103 Å²	103	101.9 Å²	101.9	53%	0.528	52%	0.521	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	-30	-172	-56.7	171.7	0	0	0	111.9	C468 M485 H488	C468-I470 VanDerWaalsContact C-N 3.28Å; C468-I470 PolarHBondContact O-N 3.07Å; C468-I470 PolarHBondContact SG-N 3.01Å; I470-M485 HydrophobicContact CD1-SD 4.42Å; I470-H488 HydrophobicContact CD1-CB 3.57Å; I470-H488 WeakPolarHBondContact CG2-ND1 3.47Å
471	C	85.9	Confident	79.5	Confident	62 Å²	62	95.6 Å²	95.6	42%	0.419	49%	0.489	S	S	.	.	T	Hydrogen-bonded Turn	trans	-142	23.5	177.7	72.5	0	0	0	0	114.3	C468 R473 H484 H488	C468-C471 PolarHBondContact SG-N 3.38Å; C471-R473 PolarHBondContact O-N 3.4Å; C471-H484 PolarHBondContact SG-NE2 3.35Å; C471-H488 PolarHBondContact SG-NE2 3.47Å
472	N	80.8	Confident	81.4	Confident	123 Å²	123	97.3 Å²	97.3	66%	0.658	48%	0.479	S	S	*	.			trans	56.8	-1.5	172.6	-64.3	-34.4	0	0	0	117.7	C468 C474	C468-N472 WeakPolarHBondContact O-CA 3.46Å; C468-N472 PolarHBondContact O-N 2.86Å; N472-C474 PolarHBondContact O-N 2.94Å
473	R	83.4	Confident	83	Confident	167 Å²	167	95.1 Å²	95.1	63%	0.63	46%	0.46	S	S	*	.			trans	-59.8	129.1	-179.2	-159	166.8	-165.3	142.2	5.5	111.8	C468 C471 F475	C468-R473 HydrophobicContact CB-CB 4.28Å; C468-R473 VanDerWaalsContact CB-O 3.29Å; C468-R473 WeakPolarHBondContact CB-O 3.4Å; C468-R473 PolarHBondContact N-O 2.92Å; C471-R473 PolarHBondContact O-N 3.4Å; R473-F475 HydrophobicContact CB-CE2 3.98Å; R473-F475 HydrophobicContact CB-CZ 4.25Å; R473-F475 HydrophobicContact CG-CE2 4.14Å; R473-F475 HydrophobicContact CG-CZ 4.01Å; R473-F475 WeakPolarHBondContact O-CD2 3.5Å; R473-F475 VanDerWaalsContact O-CE2 3.28Å; R473-F475 WeakPolarHBondContact O-CE2 3.3Å
474	C	87	Confident	84.2	Confident	59 Å²	59	87.1 Å²	87.1	40%	0.399	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	142.5	-175.4	-63.7	0	0	0	0	112.1	N472	N472-C474 PolarHBondContact O-N 2.94Å
475	F	87.7	Confident	84.8	Confident	38 Å²	38	83.7 Å²	83.7	17%	0.167	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	137.1	179.5	-60.6	-89.5	0	0	0	111.5	H466 C468 R473 F477 H480 L481 H484	H466-F475 PolarHBondContact N-O 3.13Å; H466-F475 PolarHBondContact O-N 3.48Å; C468-F475 HydrophobicContact CB-CE2 4.33Å; R473-F475 HydrophobicContact CB-CE2 3.98Å; R473-F475 HydrophobicContact CB-CZ 4.25Å; R473-F475 HydrophobicContact CG-CE2 4.14Å; R473-F475 HydrophobicContact CG-CZ 4.01Å; R473-F475 WeakPolarHBondContact O-CD2 3.5Å; R473-F475 VanDerWaalsContact O-CE2 3.28Å; R473-F475 WeakPolarHBondContact O-CE2 3.3Å; F475-F477 PolarHBondContact O-N 3.17Å; F475-H480 HydrophobicContact CB-CB 4.13Å; F475-H480 HydrophobicContact CD1-CB 3.83Å; F475-H480 HydrophobicContact CG-CB 4.28Å; F475-L481 HydrophobicContact CB-CB 4.34Å; F475-L481 HydrophobicContact CD2-CB 4.1Å; F475-L481 HydrophobicContact CD2-CD1 4.05Å; F475-L481 HydrophobicContact CE2-CD1 4.24Å; F475-L481 HydrophobicContact CG-CB 4.38Å; F475-H484 HydrophobicContact CE1-CB 4.18Å; F475-H484 HydrophobicContact CE2-CB 4.06Å; F475-H484 AromaticContact CE2-CD2 3.34Å; F475-H484 WeakPolarHBondContact CE2-CD2 3.26Å; F475-H484 AromaticContact CE2-CG 3.88Å; F475-H484 HydrophobicContact CZ-CB 3.62Å; F475-H484 AromaticContact CZ-CD2 3.38Å; F475-H484 WeakPolarHBondContact CZ-CD2 3.39Å; F475-H484 AromaticContact CZ-CG 3.48Å; F475-H484 VanDerWaalsContact CZ-CG 3.48Å
476	Q	86.8	Confident	85	Confident	128 Å²	128	79.4 Å²	79.4	60%	0.598	38%	0.384	S	S	*	.	S	Bend	trans	-67.1	-19.6	179.7	-163.8	-179.3	30.4	0	0	114
477	F	85.8	Confident	85	Confident	73 Å²	73	79.6 Å²	79.6	32%	0.32	39%	0.39	S	S	.	.	S	Bend	trans	-138.9	136.3	-175.7	-56.7	-70.7	0	0	0	112.5	H466 F475 H479 H480 L481	H466-F477 VanDerWaalsContact CD2-C 3.4Å; F475-F477 PolarHBondContact O-N 3.17Å; F477-H479 PolarHBondContact O-N 2.98Å; F477-H479 VanDerWaalsContact O-N 3.08Å; F477-H480 AromaticContact CD2-CD2 3.81Å; F477-H480 AromaticContact CD2-NE2 3.79Å; F477-H480 WeakPolarHBondContact O-CB 3.25Å; F477-H480 PolarHBondContact O-N 2.78Å; F477-L481 PolarHBondContact O-N 3.43Å
478	K	85.6	Confident	84.9	Confident	147 Å²	147	74.3 Å²	74.3	64%	0.639	37%	0.373	S	S	*	.	H	α-helix	trans	-51.7	-35.1	179.1	-171.7	174.6	-179.8	176.6	0	113.4	H466 L481 Q482	H466-K478 PolarHBondContact CD2-N 3.38Å; H466-K478 PolarHBondContact NE2-N 3.22Å; K478-L481 PolarHBondContact O-N 3.38Å; K478-Q482 PolarHBondContact O-N 3.25Å
479	H	82.6	Confident	84.5	Confident	107 Å²	107	78.6 Å²	78.6	50%	0.495	40%	0.399	S	S	.	.	H	α-helix	trans	-73.1	-24.8	179.9	78.9	-91.5	0	0	0	113.6	F477 N483	F477-H479 PolarHBondContact O-N 2.98Å; F477-H479 VanDerWaalsContact O-N 3.08Å; H479-N483 WeakPolarHBondContact O-CB 3.48Å; H479-N483 VanDerWaalsContact O-CG 3.3Å; H479-N483 PolarHBondContact O-N 3.5Å; H479-N483 VanDerWaalsContact O-N 3.09Å; H479-N483 PolarHBondContact O-ND2 3.33Å
480	H	84.5	Confident	84.4	Confident	82 Å²	82	79.4 Å²	79.4	38%	0.38	40%	0.395	S	S	.	.	H	α-helix	trans	-74.1	-42.4	169.3	-67.7	-20.3	0	0	0	111.1	F475 F477 Q482 N483 H484	F475-H480 HydrophobicContact CB-CB 4.13Å; F475-H480 HydrophobicContact CD1-CB 3.83Å; F475-H480 HydrophobicContact CG-CB 4.28Å; F477-H480 AromaticContact CD2-CD2 3.81Å; F477-H480 AromaticContact CD2-NE2 3.79Å; F477-H480 WeakPolarHBondContact O-CB 3.25Å; F477-H480 PolarHBondContact O-N 2.78Å; H480-Q482 VanDerWaalsContact C-N 3.33Å; H480-Q482 PolarHBondContact O-N 2.92Å; H480-N483 PolarHBondContact O-N 2.81Å; H480-H484 PolarHBondContact O-N 2.87Å
481	L	87.4	Confident	84.3	Confident	27 Å²	27	76.9 Å²	76.9	14%	0.141	39%	0.387	C	S	.	.	H	α-helix	trans	-57.9	-46.1	171.2	173	60.2	0	0	0	110.9	H466 R467 C468 F475 F477 K478 N483 H484 M485	H466-L481 HydrophobicContact CB-CB 4.12Å; H466-L481 HydrophobicContact CB-CD2 3.79Å; R467-L481 WeakPolarHBondContact O-CD2 3.48Å; C468-L481 HydrophobicContact CB-CD1 4.01Å; F475-L481 HydrophobicContact CB-CB 4.34Å; F475-L481 HydrophobicContact CD2-CB 4.1Å; F475-L481 HydrophobicContact CD2-CD1 4.05Å; F475-L481 HydrophobicContact CE2-CD1 4.24Å; F475-L481 HydrophobicContact CG-CB 4.38Å; F477-L481 PolarHBondContact O-N 3.43Å; K478-L481 PolarHBondContact O-N 3.38Å; L481-N483 PolarHBondContact O-N 2.96Å; L481-H484 CarbonylContact O-C 3.5Å; L481-H484 WeakPolarHBondContact O-CA 3.45Å; L481-H484 WeakPolarHBondContact O-CB 3.22Å; L481-H484 PolarHBondContact O-N 3.5Å; L481-M485 HydrophobicContact CD1-CE 3.87Å; L481-M485 HydrophobicContact CD1-CG 4.15Å; L481-M485 HydrophobicContact CD1-SD 4.44Å; L481-M485 HydrophobicContact CG-CG 4.36Å; L481-M485 WeakPolarHBondContact O-CG 3.46Å; L481-M485 PolarHBondContact O-N 3.4Å
482	Q	84.9	Confident	84.2	Confident	104 Å²	104	81.2 Å²	81.2	49%	0.486	39%	0.394	S	S	.	.	H	α-helix	trans	-60.4	-45	177.6	-170.7	63.9	51.7	0	0	112.2	K478 H480 H484 M485 N486	K478-Q482 PolarHBondContact O-N 3.25Å; H480-Q482 VanDerWaalsContact C-N 3.33Å; H480-Q482 PolarHBondContact O-N 2.92Å; Q482-H484 PolarHBondContact O-N 3.45Å; Q482-M485 PolarHBondContact O-N 3.32Å; Q482-N486 PolarHBondContact O-N 3.32Å; Q482-N486 VanDerWaalsContact O-N 3.16Å; Q482-N486 PolarHBondContact O-OD1 3.36Å
483	N	83.9	Confident	84.3	Confident	39 Å²	39	78.8 Å²	78.8	21%	0.209	39%	0.385	C	S	.	.	H	α-helix	trans	-60.6	-31.2	174.1	-76.8	-16.7	0	0	0	112.3	H479 H480 L481 N486 H505	H479-N483 WeakPolarHBondContact O-CB 3.48Å; H479-N483 VanDerWaalsContact O-CG 3.3Å; H479-N483 PolarHBondContact O-N 3.5Å; H479-N483 VanDerWaalsContact O-N 3.09Å; H479-N483 PolarHBondContact O-ND2 3.33Å; H480-N483 PolarHBondContact O-N 2.81Å; L481-N483 PolarHBondContact O-N 2.96Å; N483-N486 WeakPolarHBondContact O-CB 3.42Å; N483-H505 PolarHBondContact O-CE1 3.11Å; N483-H505 PolarHBondContact O-ND1 3.34Å
484	H	85.1	Confident	84.3	Confident	29 Å²	29	74.2 Å²	74.2	13%	0.134	37%	0.368	C	S	.	.	H	α-helix	trans	-78.2	-33.8	174.1	176.8	51	0	0	0	113.2	C468 C471 F475 H480 L481 Q482 N486 T487 H488	C468-H484 PolarHBondContact SG-NE2 3.18Å; C468-H484 VanDerWaalsContact SG-NE2 3.37Å; C471-H484 PolarHBondContact SG-NE2 3.35Å; F475-H484 HydrophobicContact CE1-CB 4.18Å; F475-H484 HydrophobicContact CE2-CB 4.06Å; F475-H484 AromaticContact CE2-CD2 3.34Å; F475-H484 WeakPolarHBondContact CE2-CD2 3.26Å; F475-H484 AromaticContact CE2-CG 3.88Å; F475-H484 HydrophobicContact CZ-CB 3.62Å; F475-H484 AromaticContact CZ-CD2 3.38Å; F475-H484 WeakPolarHBondContact CZ-CD2 3.39Å; F475-H484 AromaticContact CZ-CG 3.48Å; F475-H484 VanDerWaalsContact CZ-CG 3.48Å; H480-H484 PolarHBondContact O-N 2.87Å; L481-H484 CarbonylContact O-C 3.5Å; L481-H484 WeakPolarHBondContact O-CA 3.45Å; L481-H484 WeakPolarHBondContact O-CB 3.22Å; L481-H484 PolarHBondContact O-N 3.5Å; Q482-H484 PolarHBondContact O-N 3.45Å; H484-N486 PolarHBondContact O-N 3.26Å; H484-T487 PolarHBondContact ND1-OG1 2.88Å; H484-T487 PolarHBondContact O-N 3.31Å; H484-T487 PolarHBondContact O-OG1 3.49Å; H484-H488 AromaticContact CD2-NE2 3.92Å; H484-H488 AromaticContact CE1-CD2 3.73Å; H484-H488 AromaticContact CE1-NE2 3.12Å; H484-H488 PolarHBondContact CE1-NE2 3.09Å; H484-H488 AromaticContact ND1-NE2 3.98Å; H484-H488 AromaticContact NE2-CD2 3.73Å; H484-H488 AromaticContact NE2-NE2 3.05Å; H484-H488 PolarHBondContact NE2-NE2 3.31Å
485	M	84.8	Confident	84.3	Confident	30 Å²	30	76.3 Å²	76.3	15%	0.148	37%	0.374	C	S	.	.	H	α-helix	trans	-60	-31	170.9	-68.4	-65.3	93.8	0	0	111.8	C468 I470 L481 Q482 T487 H488 T489	C468-M485 HydrophobicContact CB-CE 4.05Å; C468-M485 WeakPolarHBondContact SG-CE 3.28Å; I470-M485 HydrophobicContact CD1-SD 4.42Å; L481-M485 HydrophobicContact CD1-CE 3.87Å; L481-M485 HydrophobicContact CD1-CG 4.15Å; L481-M485 HydrophobicContact CD1-SD 4.44Å; L481-M485 HydrophobicContact CG-CG 4.36Å; L481-M485 WeakPolarHBondContact O-CG 3.46Å; L481-M485 PolarHBondContact O-N 3.4Å; Q482-M485 PolarHBondContact O-N 3.32Å; M485-T487 PolarHBondContact O-N 3.45Å; M485-H488 PolarHBondContact O-N 3.28Å; M485-T489 WeakPolarHBondContact O-CB 3.34Å; M485-T489 PolarHBondContact O-N 3.1Å; M485-T489 PolarHBondContact O-OG1 3.46Å
486	N	85.9	Confident	84.2	Confident	10 Å²	10	74.5 Å²	74.5	5%	0.053	37%	0.366	C	S	.	.	H	α-helix	trans	-62.9	-23.1	172.3	-63	-2.5	0	0	0	113.5	Q482 N483 H484 T489 N490 S491 A504	Q482-N486 PolarHBondContact O-N 3.32Å; Q482-N486 VanDerWaalsContact O-N 3.16Å; Q482-N486 PolarHBondContact O-OD1 3.36Å; N483-N486 WeakPolarHBondContact O-CB 3.42Å; H484-N486 PolarHBondContact O-N 3.26Å; N486-T489 WeakPolarHBondContact CA-OG1 3.28Å; N486-N490 CarbonylContact O-C 3.42Å; N486-N490 WeakPolarHBondContact O-CA 3.45Å; N486-N490 PolarHBondContact O-N 3.13Å; N486-S491 WeakPolarHBondContact CB-O 3.44Å; N486-S491 PolarHBondContact O-N 3.17Å; N486-A504 HydrophobicContact CB-CB 4.18Å; N486-A504 PolarHBondContact ND2-O 3.4Å
487	T	82	Confident	83.9	Confident	67 Å²	67	73.3 Å²	73.3	41%	0.411	37%	0.37	S	S	.	.	H	α-helix	trans	-80.6	-36.5	175.8	67.2	0	0	0	0	112.2	H484 M485	H484-T487 PolarHBondContact ND1-OG1 2.88Å; H484-T487 PolarHBondContact O-N 3.31Å; H484-T487 PolarHBondContact O-OG1 3.49Å; M485-T487 PolarHBondContact O-N 3.45Å
488	H	82.8	Confident	83.8	Confident	62 Å²	62	75.3 Å²	75.3	29%	0.287	38%	0.383	S	S	.	.	H	α-helix	trans	-72.6	-42.9	176.2	-67.1	-75.1	0	0	0	112.5	I470 C471 H484 M485 N490	I470-H488 HydrophobicContact CD1-CB 3.57Å; I470-H488 WeakPolarHBondContact CG2-ND1 3.47Å; C471-H488 PolarHBondContact SG-NE2 3.47Å; H484-H488 AromaticContact CD2-NE2 3.92Å; H484-H488 AromaticContact CE1-CD2 3.73Å; H484-H488 AromaticContact CE1-NE2 3.12Å; H484-H488 PolarHBondContact CE1-NE2 3.09Å; H484-H488 AromaticContact ND1-NE2 3.98Å; H484-H488 AromaticContact NE2-CD2 3.73Å; H484-H488 AromaticContact NE2-NE2 3.05Å; H484-H488 PolarHBondContact NE2-NE2 3.31Å; M485-H488 PolarHBondContact O-N 3.28Å; H488-N490 PolarHBondContact O-N 3.08Å
489	T	80.6	Confident	83.6	Confident	91 Å²	91	70.5 Å²	70.5	56%	0.558	37%	0.368	S	S	*	.	S	Bend	trans	-77.9	-0.8	177.5	55.5	0	0	0	0	113.5	M485 N486 S491	M485-T489 WeakPolarHBondContact O-CB 3.34Å; M485-T489 PolarHBondContact O-N 3.1Å; M485-T489 PolarHBondContact O-OG1 3.46Å; N486-T489 WeakPolarHBondContact CA-OG1 3.28Å; T489-S491 PolarHBondContact O-N 3.46Å; T489-S491 VanDerWaalsContact OG1-CB 3.3Å; T489-S491 WeakPolarHBondContact OG1-CB 3.38Å
490	N	81.3	Confident	83.7	Confident	120 Å²	120	75.4 Å²	75.4	64%	0.642	38%	0.382	S	S	*	.			trans	50	17	-167.2	-77.7	-71.6	0	0	0	114.9	N486 H488 R492	N486-N490 CarbonylContact O-C 3.42Å; N486-N490 WeakPolarHBondContact O-CA 3.45Å; N486-N490 PolarHBondContact O-N 3.13Å; H488-N490 PolarHBondContact O-N 3.08Å; N490-R492 PolarHBondContact O-N 3.07Å
491	S	81.1	Confident	83.7	Confident	49 Å²	49	76.6 Å²	76.6	34%	0.343	39%	0.386	S	S	.	.			trans	-68.5	128	-175.3	-174.6	0	0	0	0	111.5	N486 T489 P493	N486-S491 WeakPolarHBondContact CB-O 3.44Å; N486-S491 PolarHBondContact O-N 3.17Å; T489-S491 PolarHBondContact O-N 3.46Å; T489-S491 VanDerWaalsContact OG1-CB 3.3Å; T489-S491 WeakPolarHBondContact OG1-CB 3.38Å; S491-P493 VanDerWaalsContact O-CD 3.26Å; S491-P493 WeakPolarHBondContact O-CD 3.38Å
492	R	83.9	Confident	83.7	Confident	153 Å²	153	76.8 Å²	76.8	58%	0.577	39%	0.392	S	S	*	.			trans	-120	62.7	-178	-65.8	178.5	-174.8	-154.2	7.5	111.6	N490 Y494 A502 Y503	N490-R492 PolarHBondContact O-N 3.07Å; R492-Y494 PolarHBondContact O-N 3.4Å; R492-Y494 VanDerWaalsContact O-N 3.13Å; R492-A502 HydrophobicContact CB-CB 3.64Å; R492-A502 WeakPolarHBondContact CD-O 3.46Å; R492-Y503 CarbonylContact C-O 3.31Å; R492-Y503 WeakPolarHBondContact CA-O 3.42Å
493	P	82.4	Confident	83.6	Confident	72 Å²	72	74.5 Å²	74.5	47%	0.468	38%	0.379	S	S	.	.			trans	-70.1	-11.7	-170	29.8	-36.4	0	0	0	114.2	S491 I495	S491-P493 VanDerWaalsContact O-CD 3.26Å; S491-P493 WeakPolarHBondContact O-CD 3.38Å; P493-I495 PolarHBondContact O-N 2.84Å
494	Y	85.1	Confident	83.6	Confident	72 Å²	72	73.8 Å²	73.8	28%	0.282	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	83.1	-179.5	-57.6	-75.6	0	0	0	110.2	R492 Y503 H505 R506	R492-Y494 PolarHBondContact O-N 3.4Å; R492-Y494 VanDerWaalsContact O-N 3.13Å; Y494-Y503 WeakPolarHBondContact CB-O 3.39Å; Y494-Y503 PolarHBondContact N-O 2.95Å; Y494-Y503 WeakPolarHBondContact O-CD2 3.44Å; Y494-Y503 PolarHBondContact O-N 3.34Å; Y494-H505 VanDerWaalsContact CD2-CA 3.47Å; Y494-R506 HydrophobicContact CD1-CB 3.86Å; Y494-R506 HydrophobicContact CD1-CG 4.2Å; Y494-R506 VanDerWaalsContact CD2-N 3.26Å; Y494-R506 HydrophobicContact CE1-CB 3.6Å; Y494-R506 HydrophobicContact CE1-CG 4.07Å; Y494-R506 HydrophobicContact CE2-CB 4.34Å; Y494-R506 VanDerWaalsContact CE2-N 3.33Å; Y494-R506 HydrophobicContact CG-CB 4.34Å
495	I	86.4	Confident	83.6	Confident	102 Å²	102	75.5 Å²	75.5	52%	0.523	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	136.8	-179.4	-58.7	176.3	0	0	0	110.9	P493 A502	P493-I495 PolarHBondContact O-N 2.84Å; I495-A502 HydrophobicContact CG1-CB 4.04Å
496	C	85.7	Confident	83.5	Confident	0 Å²	0	83 Å²	83	0%	0	41%	0.413	C	S	.	.			trans	-67.4	122.6	170.4	170.6	0	0	0	0	111.3	L498 C499 R500 K501 L509 H512 M513	C496-L498 PolarHBondContact O-N 2.78Å; C496-L498 PolarHBondContact SG-N 3.22Å; C496-L498 VanDerWaalsContact SG-N 3.39Å; C496-C499 PolarHBondContact SG-N 3.22Å; C496-C499 PolarHBondContact SG-SG 3.47Å; C496-R500 WeakPolarHBondContact O-CA 3.38Å; C496-R500 PolarHBondContact O-N 3.04Å; C496-K501 HydrophobicContact CB-CB 4.43Å; C496-K501 WeakPolarHBondContact CB-O 3.28Å; C496-K501 PolarHBondContact N-O 3.33Å; C496-L509 HydrophobicContact CB-CD1 4.09Å; C496-H512 PolarHBondContact SG-NE2 3.48Å; C496-M513 HydrophobicContact CB-CE 4.01Å; C496-M513 WeakPolarHBondContact SG-CE 3.41Å
497	P	80.8	Confident	83.3	Confident	104 Å²	104	84.9 Å²	84.9	68%	0.675	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-12.1	179.9	27.9	-34.3	0	0	0	114	M513	P497-M513 HydrophobicContact CG-SD 4.22Å
498	L	82.4	Confident	83.4	Confident	114 Å²	114	83.8 Å²	83.8	60%	0.597	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.3	-59.3	-172.3	-63.6	169.4	0	0	0	112.4	C496 H517	C496-L498 PolarHBondContact O-N 2.78Å; C496-L498 PolarHBondContact SG-N 3.22Å; C496-L498 VanDerWaalsContact SG-N 3.39Å; L498-H517 HydrophobicContact CD1-CB 3.58Å
499	C	82.6	Confident	83.5	Confident	46 Å²	46	82.1 Å²	82.1	31%	0.311	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	11	175.4	72.9	0	0	0	0	115	C496 K501 H512 H517	C496-C499 PolarHBondContact SG-N 3.22Å; C496-C499 PolarHBondContact SG-SG 3.47Å; C499-K501 PolarHBondContact O-N 3.31Å; C499-H512 PolarHBondContact SG-CE1 3.35Å; C499-H512 PolarHBondContact SG-NE2 3.26Å; C499-H517 PolarHBondContact SG-NE2 3.38Å
500	R	85.2	Confident	83.5	Confident	211 Å²	211	80.6 Å²	80.6	80%	0.796	42%	0.416	S	S	*	.			trans	58.5	2.3	175.3	-58.4	-175.9	-178.7	-178.1	0.8	117.1	C496 A502	C496-R500 WeakPolarHBondContact O-CA 3.38Å; C496-R500 PolarHBondContact O-N 3.04Å; R500-A502 PolarHBondContact O-N 2.93Å
501	K	83.7	Confident	83.4	Confident	106 Å²	106	77.2 Å²	77.2	46%	0.461	40%	0.4	S	S	.	.			trans	-57.2	130.6	172.1	-69.8	178.8	-176.8	171.9	0	111.1	C496 C499 Y503 H516	C496-K501 HydrophobicContact CB-CB 4.43Å; C496-K501 WeakPolarHBondContact CB-O 3.28Å; C496-K501 PolarHBondContact N-O 3.33Å; C499-K501 PolarHBondContact O-N 3.31Å; K501-Y503 HydrophobicContact CB-CE2 3.92Å; K501-Y503 WeakPolarHBondContact O-CE2 3.4Å; K501-H516 PolarHBondContact NZ-NE2 3.29Å
502	A	86.3	Confident	83.4	Confident	32 Å²	32	75.6 Å²	75.6	26%	0.264	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	140	-172.5	0	0	0	0	0	112.4	R492 I495 R500	R492-A502 HydrophobicContact CB-CB 3.64Å; R492-A502 WeakPolarHBondContact CD-O 3.46Å; I495-A502 HydrophobicContact CG1-CB 4.04Å; R500-A502 PolarHBondContact O-N 2.93Å
503	Y	84.5	Confident	83.1	Confident	56 Å²	56	70.5 Å²	70.5	22%	0.22	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	144.7	-175	-61.4	-85.5	0	0	0	112.9	R492 Y494 K501 H505 L509 H512	R492-Y503 CarbonylContact C-O 3.31Å; R492-Y503 WeakPolarHBondContact CA-O 3.42Å; Y494-Y503 WeakPolarHBondContact CB-O 3.39Å; Y494-Y503 PolarHBondContact N-O 2.95Å; Y494-Y503 WeakPolarHBondContact O-CD2 3.44Å; Y494-Y503 PolarHBondContact O-N 3.34Å; K501-Y503 HydrophobicContact CB-CE2 3.92Å; K501-Y503 WeakPolarHBondContact O-CE2 3.4Å; Y503-H505 VanDerWaalsContact C-N 3.31Å; Y503-H505 PolarHBondContact O-N 2.75Å; Y503-L509 HydrophobicContact CD2-CB 4.15Å; Y503-L509 HydrophobicContact CD2-CD1 4.21Å; Y503-L509 HydrophobicContact CE2-CD1 4.49Å; Y503-H512 HydrophobicContact CE1-CB 4.39Å; Y503-H512 HydrophobicContact CE2-CB 3.99Å; Y503-H512 AromaticContact CE2-CD2 3.4Å; Y503-H512 VanDerWaalsContact CE2-CD2 3.4Å; Y503-H512 WeakPolarHBondContact CE2-CD2 3.29Å; Y503-H512 AromaticContact CE2-CG 3.73Å; Y503-H512 AromaticContact CZ-CD2 3.78Å; Y503-H512 AromaticContact CZ-CG 3.63Å; Y503-H512 PolarHBondContact OH-ND1 2.86Å
504	A	83.4	Confident	82.8	Confident	24 Å²	24	73.5 Å²	73.5	20%	0.198	38%	0.375	C	S	.	.	S	Bend	trans	-73	-18.5	177.5	0	0	0	0	0	113.9	N486	N486-A504 HydrophobicContact CB-CB 4.18Å; N486-A504 PolarHBondContact ND2-O 3.4Å
505	H	84.6	Confident	82	Confident	65 Å²	65	73.6 Å²	73.6	30%	0.301	38%	0.381	S	S	.	.	S	Bend	trans	-136.7	142.7	-176.6	-46.9	-28.8	0	0	0	112.6	N483 Y494 Y503 G507 S508 L509	N483-H505 PolarHBondContact O-CE1 3.11Å; N483-H505 PolarHBondContact O-ND1 3.34Å; Y494-H505 VanDerWaalsContact CD2-CA 3.47Å; Y503-H505 VanDerWaalsContact C-N 3.31Å; Y503-H505 PolarHBondContact O-N 2.75Å; H505-G507 PolarHBondContact O-N 2.82Å; H505-S508 PolarHBondContact O-N 3.47Å; H505-S508 VanDerWaalsContact O-N 3.13Å; H505-L509 PolarHBondContact O-N 3.21Å
506	R	81.9	Confident	81	Confident	188 Å²	188	73.4 Å²	73.4	71%	0.709	38%	0.377	S	S	*	.	H	α-helix	trans	-57.8	-33.8	176.9	-168.1	178.9	177.9	-170.6	0.2	113.3	Y494 S510	Y494-R506 HydrophobicContact CD1-CB 3.86Å; Y494-R506 HydrophobicContact CD1-CG 4.2Å; Y494-R506 VanDerWaalsContact CD2-N 3.26Å; Y494-R506 HydrophobicContact CE1-CB 3.6Å; Y494-R506 HydrophobicContact CE1-CG 4.07Å; Y494-R506 HydrophobicContact CE2-CB 4.34Å; Y494-R506 VanDerWaalsContact CE2-N 3.33Å; Y494-R506 HydrophobicContact CG-CB 4.34Å; R506-S510 WeakPolarHBondContact O-CB 3.18Å; R506-S510 PolarHBondContact O-N 2.87Å
507	G	82.8	Confident	80.2	Confident	49 Å²	49	76.6 Å²	76.6	51%	0.505	39%	0.392	S	S	.	.	H	α-helix	trans	-62.4	-44.6	176.8	0	0	0	0	0	112.3	H505 S510 T511	H505-G507 PolarHBondContact O-N 2.82Å; G507-S510 WeakPolarHBondContact O-CB 3.47Å; G507-S510 PolarHBondContact O-N 3.38Å; G507-S510 VanDerWaalsContact O-N 3.12Å; G507-T511 PolarHBondContact O-N 2.99Å; G507-T511 PolarHBondContact O-OG1 3.06Å
508	S	83.1	Confident	79.3	Confident	43 Å²	43	74.1 Å²	74.1	30%	0.301	38%	0.377	S	S	.	.	H	α-helix	trans	-66.7	-36.8	179.4	-46.3	0	0	0	0	112.7	H505 T511 H512	H505-S508 PolarHBondContact O-N 3.47Å; H505-S508 VanDerWaalsContact O-N 3.13Å; S508-T511 PolarHBondContact O-OG1 2.82Å; S508-T511 VanDerWaalsContact O-OG1 3.05Å; S508-H512 VanDerWaalsContact O-CB 3.28Å; S508-H512 WeakPolarHBondContact O-CB 3.41Å; S508-H512 PolarHBondContact O-N 3.24Å
509	L	85.1	Confident	77.8	Confident	28 Å²	28	78.2 Å²	78.2	15%	0.147	39%	0.393	C	S	.	.	H	α-helix	trans	-64.8	-42.3	169.4	173.4	59.6	0	0	0	111.1	C496 Y503 H505 T511 H512 M513	C496-L509 HydrophobicContact CB-CD1 4.09Å; Y503-L509 HydrophobicContact CD2-CB 4.15Å; Y503-L509 HydrophobicContact CD2-CD1 4.21Å; Y503-L509 HydrophobicContact CE2-CD1 4.49Å; H505-L509 PolarHBondContact O-N 3.21Å; L509-T511 PolarHBondContact O-N 2.88Å; L509-H512 PolarHBondContact O-N 3.2Å; L509-M513 HydrophobicContact CD1-CE 4.1Å; L509-M513 HydrophobicContact CD1-CG 4.03Å; L509-M513 HydrophobicContact CG-CG 4.4Å; L509-M513 WeakPolarHBondContact O-CB 3.49Å; L509-M513 VanDerWaalsContact O-CG 3.26Å; L509-M513 WeakPolarHBondContact O-CG 3.36Å; L509-M513 PolarHBondContact O-N 2.95Å
510	S	81.8	Confident	76.2	Confident	59 Å²	59	81.6 Å²	81.6	41%	0.413	41%	0.412	S	S	.	.	H	α-helix	trans	-64.8	-37.9	179.7	-172.8	0	0	0	0	113.2	R506 G507 K514	R506-S510 WeakPolarHBondContact O-CB 3.18Å; R506-S510 PolarHBondContact O-N 2.87Å; G507-S510 WeakPolarHBondContact O-CB 3.47Å; G507-S510 PolarHBondContact O-N 3.38Å; G507-S510 VanDerWaalsContact O-N 3.12Å; S510-K514 WeakPolarHBondContact O-CG 3.11Å; S510-K514 PolarHBondContact O-N 3Å
511	T	79.1	Confident	74.4	Confident	49 Å²	49	82 Å²	82	30%	0.301	41%	0.414	S	S	.	.	H	α-helix	trans	-69.3	-47.6	171.3	52.2	0	0	0	0	110.9	G507 S508 L509 M513 K514 L515 Y537	G507-T511 PolarHBondContact O-N 2.99Å; G507-T511 PolarHBondContact O-OG1 3.06Å; S508-T511 PolarHBondContact O-OG1 2.82Å; S508-T511 VanDerWaalsContact O-OG1 3.05Å; L509-T511 PolarHBondContact O-N 2.88Å; T511-M513 VanDerWaalsContact C-N 3.31Å; T511-M513 PolarHBondContact O-N 3.13Å; T511-K514 PolarHBondContact O-N 2.82Å; T511-L515 WeakPolarHBondContact O-CG 3.2Å; T511-L515 PolarHBondContact O-N 3.31Å; T511-Y537 HydrophobicContact CG2-CE1 4.35Å
512	H	80.6	Confident	72.9	Confident	14 Å²	14	80 Å²	80	7%	0.065	41%	0.412	C	S	.	.	H	α-helix	trans	-54.1	-43.8	176.2	167	56.8	0	0	0	113.1	C496 C499 Y503 S508 L509 K514 L515 H516 H517	C496-H512 PolarHBondContact SG-NE2 3.48Å; C499-H512 PolarHBondContact SG-CE1 3.35Å; C499-H512 PolarHBondContact SG-NE2 3.26Å; Y503-H512 HydrophobicContact CE1-CB 4.39Å; Y503-H512 HydrophobicContact CE2-CB 3.99Å; Y503-H512 AromaticContact CE2-CD2 3.4Å; Y503-H512 VanDerWaalsContact CE2-CD2 3.4Å; Y503-H512 WeakPolarHBondContact CE2-CD2 3.29Å; Y503-H512 AromaticContact CE2-CG 3.73Å; Y503-H512 AromaticContact CZ-CD2 3.78Å; Y503-H512 AromaticContact CZ-CG 3.63Å; Y503-H512 PolarHBondContact OH-ND1 2.86Å; S508-H512 VanDerWaalsContact O-CB 3.28Å; S508-H512 WeakPolarHBondContact O-CB 3.41Å; S508-H512 PolarHBondContact O-N 3.24Å; L509-H512 PolarHBondContact O-N 3.2Å; H512-K514 VanDerWaalsContact C-N 3.34Å; H512-K514 PolarHBondContact O-N 3.39Å; H512-L515 PolarHBondContact O-N 3.46Å; H512-H516 AromaticContact CE1-CD2 3.6Å; H512-H516 AromaticContact CE1-CG 3.57Å; H512-H516 WeakPolarHBondContact ND1-CB 3.44Å; H512-H516 AromaticContact ND1-CD2 3.8Å; H512-H516 AromaticContact ND1-CG 3.84Å; H512-H516 VanDerWaalsContact O-CB 3.24Å; H512-H516 WeakPolarHBondContact O-CB 3.15Å; H512-H516 PolarHBondContact O-N 3.42Å; H512-H517 AromaticContact CE1-CD2 3.78Å; H512-H517 AromaticContact CE1-NE2 3.75Å; H512-H517 AromaticContact NE2-CD2 3.71Å; H512-H517 AromaticContact NE2-NE2 3.72Å
513	M	77.1	Confident	71.1	Confident	47 Å²	47	90.6 Å²	90.6	23%	0.232	45%	0.445	C	S	.	.	H	α-helix	trans	-56.5	-43.9	173.9	-73.8	-68.9	96.3	0	0	112.9	C496 P497 L509 T511 H517 S518	C496-M513 HydrophobicContact CB-CE 4.01Å; C496-M513 WeakPolarHBondContact SG-CE 3.41Å; P497-M513 HydrophobicContact CG-SD 4.22Å; L509-M513 HydrophobicContact CD1-CE 4.1Å; L509-M513 HydrophobicContact CD1-CG 4.03Å; L509-M513 HydrophobicContact CG-CG 4.4Å; L509-M513 WeakPolarHBondContact O-CB 3.49Å; L509-M513 VanDerWaalsContact O-CG 3.26Å; L509-M513 WeakPolarHBondContact O-CG 3.36Å; L509-M513 PolarHBondContact O-N 2.95Å; T511-M513 VanDerWaalsContact C-N 3.31Å; T511-M513 PolarHBondContact O-N 3.13Å; M513-H517 HydrophobicContact CE-CB 4.4Å; M513-H517 CarbonylContact O-C 3.2Å; M513-H517 VanDerWaalsContact O-C 3.31Å; M513-H517 WeakPolarHBondContact O-CA 3.26Å; M513-H517 PolarHBondContact O-N 3.31Å; M513-S518 PolarHBondContact O-N 2.97Å
514	K	77.8	Confident	69.7	Low	134 Å²	134	95.2 Å²	95.2	58%	0.583	46%	0.462	S	S	*	.	H	α-helix	trans	-68	-42.6	178.6	-68.8	174.4	-178.7	-173.6	0	112.2	S510 T511 H512 S518	S510-K514 WeakPolarHBondContact O-CG 3.11Å; S510-K514 PolarHBondContact O-N 3Å; T511-K514 PolarHBondContact O-N 2.82Å; H512-K514 VanDerWaalsContact C-N 3.34Å; H512-K514 PolarHBondContact O-N 3.39Å; K514-S518 WeakPolarHBondContact O-CB 3.12Å; K514-S518 PolarHBondContact O-OG 3.13Å
515	L	66.8	Low	68.8	Low	75 Å²	75	97.3 Å²	97.3	39%	0.393	48%	0.475	S	S	.	.	H	α-helix	trans	-86.3	-24.6	-170.2	-56.3	-175.9	0	0	0	114.5	T511 H512 Y537 V540	T511-L515 WeakPolarHBondContact O-CG 3.2Å; T511-L515 PolarHBondContact O-N 3.31Å; H512-L515 PolarHBondContact O-N 3.46Å; L515-Y537 VanDerWaalsContact CD1-CB 3.45Å; L515-Y537 HydrophobicContact CD1-CD1 4.02Å; L515-Y537 HydrophobicContact CD1-CG 3.79Å; L515-Y537 HydrophobicContact CD2-CD2 4.14Å; L515-Y537 HydrophobicContact CD2-CG 4.06Å; L515-Y537 HydrophobicContact CG-CG 4.49Å; L515-V540 HydrophobicContact CD1-CG2 3.95Å
516	H	66.1	Low	68.1	Low	98 Å²	98	95.6 Å²	95.6	45%	0.454	47%	0.468	S	S	.	.	H	α-helix	trans	-117.6	-11.7	-171.3	-157.2	-49.5	0	0	0	112.9	K501 H512	K501-H516 PolarHBondContact NZ-NE2 3.29Å; H512-H516 AromaticContact CE1-CD2 3.6Å; H512-H516 AromaticContact CE1-CG 3.57Å; H512-H516 WeakPolarHBondContact ND1-CB 3.44Å; H512-H516 AromaticContact ND1-CD2 3.8Å; H512-H516 AromaticContact ND1-CG 3.84Å; H512-H516 VanDerWaalsContact O-CB 3.24Å; H512-H516 WeakPolarHBondContact O-CB 3.15Å; H512-H516 PolarHBondContact O-N 3.42Å
517	H	67.8	Low	67.7	Low	67 Å²	67	89.9 Å²	89.9	31%	0.31	46%	0.456	S	S	.	.	H	α-helix	trans	-145.9	11.4	-171.8	-66.5	-67.5	0	0	0	114.9	L498 C499 H512 M513	L498-H517 HydrophobicContact CD1-CB 3.58Å; C499-H517 PolarHBondContact SG-NE2 3.38Å; H512-H517 AromaticContact CE1-CD2 3.78Å; H512-H517 AromaticContact CE1-NE2 3.75Å; H512-H517 AromaticContact NE2-CD2 3.71Å; H512-H517 AromaticContact NE2-NE2 3.72Å; M513-H517 HydrophobicContact CE-CB 4.4Å; M513-H517 CarbonylContact O-C 3.2Å; M513-H517 VanDerWaalsContact O-C 3.31Å; M513-H517 WeakPolarHBondContact O-CA 3.26Å; M513-H517 PolarHBondContact O-N 3.31Å
518	S	62.1	Low	67.5	Low	52 Å²	52	87.5 Å²	87.5	36%	0.364	43%	0.432	S	S	.	.			trans	-107.3	128.1	171	90.3	0	0	0	0	111	M513 K514 V520	M513-S518 PolarHBondContact O-N 2.97Å; K514-S518 WeakPolarHBondContact O-CB 3.12Å; K514-S518 PolarHBondContact O-OG 3.13Å; S518-V520 PolarHBondContact O-N 2.94Å
519	E	51.9	Low	67	Low	200 Å²	200	90 Å²	90	94%	0.935	44%	0.438	S	S	*	.	S	Bend	trans	-65.3	-14.7	175.7	-64.8	161	-166.1	0	0	112.3	R521	E519-R521 VanDerWaalsContact C-N 3.29Å; E519-R521 PolarHBondContact O-N 2.9Å
520	V	48	Very low	66.3	Low	116 Å²	116	89 Å²	89	70%	0.703	43%	0.433	S	S	*	.	S	Bend	trans	-72.7	86.2	172	-174.4	0	0	0	0	108.5	S518	S518-V520 PolarHBondContact O-N 2.94Å
521	R	47.7	Very low	65.8	Low	220 Å²	220	88 Å²	88	83%	0.83	43%	0.425	S	S	*	.			trans	-44.8	125.6	163.8	-73.9	-175	175.8	122.6	-4.7	108.5	E519 R523	E519-R521 VanDerWaalsContact C-N 3.29Å; E519-R521 PolarHBondContact O-N 2.9Å; R521-R523 PolarHBondContact O-N 3.14Å; R521-R523 VanDerWaalsContact O-N 3.13Å
522	P	52.8	Low	65.3	Low	65 Å²	65	91.1 Å²	91.1	42%	0.422	44%	0.441	S	S	.	.			trans	-58.8	121.4	169.2	24.1	-30.3	0	0	0	107.2	R524 G536	P522-R524 PolarHBondContact O-N 3Å; P522-G536 WeakPolarHBondContact CB-O 3.35Å; P522-G536 VanDerWaalsContact CG-CA 3.45Å; P522-G536 VanDerWaalsContact CG-O 3.32Å; P522-G536 WeakPolarHBondContact CG-O 3.46Å
523	R	49.2	Very low	64.9	Low	254 Å²	254	95.6 Å²	95.6	96%	0.958	46%	0.46	S	S	*	.	S	Bend	trans	-62.3	-9.9	-169.5	-83.2	-169	170.3	-147.1	-3	114.9	R521	R521-R523 PolarHBondContact O-N 3.14Å; R521-R523 VanDerWaalsContact O-N 3.13Å
524	R	55	Low	64.7	Low	152 Å²	152	97.9 Å²	97.9	57%	0.574	48%	0.476	S	S	*	.	S	Bend	trans	-135.9	120.6	167.9	-64.1	178.3	-179.4	150	-17.1	107.3	P522 E636	P522-R524 PolarHBondContact O-N 3Å; R524-E636 IonicContact CZ-OE2 2.83Å; R524-E636 IonicContact NH1-OE2 3.77Å; R524-E636 PolarHBondContact NH1-OE2 2.99Å; R524-E636 IonicContact NH2-OE2 2.73Å; R524-E636 PolarHBondContact NH2-OE2 3.12Å
525	S	63	Low	64.6	Low	68 Å²	68	93 Å²	93	48%	0.476	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-87.1	143.3	163.2	44.2	0	0	0	0	109.1	F535	S525-F535 WeakPolarHBondContact CA-O 3.45Å
526	L	70.2	Confident	64.6	Low	29 Å²	29	91 Å²	91	15%	0.152	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	119.7	172.4	-62.7	178.5	0	0	0	109.1	F535 V538 Y541 L637	L526-F535 PolarHBondContact N-O 3.47Å; L526-F535 PolarHBondContact O-N 3.07Å; L526-V538 HydrophobicContact CD1-CB 4.4Å; L526-V538 HydrophobicContact CD1-CG2 4.07Å; L526-Y541 HydrophobicContact CB-CD2 3.85Å; L526-Y541 HydrophobicContact CB-CE2 4.27Å; L526-Y541 HydrophobicContact CB-CG 3.98Å; L526-Y541 HydrophobicContact CD1-CD1 3.74Å; L526-Y541 HydrophobicContact CD1-CE1 4.32Å; L526-Y541 HydrophobicContact CD1-CG 3.84Å; L526-L637 HydrophobicContact CD1-CD1 4.24Å
527	C	74.5	Confident	64.7	Low	68 Å²	68	89.9 Å²	89.9	46%	0.459	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	151.1	170.8	-56.2	0	0	0	0	109.6	Y541	C527-Y541 VanDerWaalsContact O-CE2 3.22Å; C527-Y541 WeakPolarHBondContact O-CE2 3.5Å
528	C	77.4	Confident	64.7	Low	0 Å²	0	87.8 Å²	87.8	0%	0	44%	0.436	C	S	.	.			trans	-94.5	114.9	172.7	-175.9	0	0	0	0	111.4	F530 C531 D532 K533 F535 Y541 H544	C528-F530 PolarHBondContact O-N 2.9Å; C528-C531 PolarHBondContact O-N 3.49Å; C528-D532 WeakPolarHBondContact O-CA 3.13Å; C528-D532 PolarHBondContact O-N 3.05Å; C528-K533 PolarHBondContact N-O 3.21Å; C528-F535 HydrophobicContact CB-CE2 4.18Å; C528-Y541 HydrophobicContact CB-CE2 4.38Å; C528-H544 WeakPolarHBondContact CB-NE2 3.48Å; C528-H544 PolarHBondContact SG-NE2 3.23Å
529	E	72.9	Confident	65.2	Low	94 Å²	94	86.6 Å²	86.6	44%	0.439	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-4.7	178.8	-65.1	159	-122.5	0	0	114.6	F602	E529-F602 WeakPolarHBondContact OE2-CB 3.46Å; E529-F602 VanDerWaalsContact OE2-CD2 3.31Å; E529-F602 WeakPolarHBondContact OE2-CD2 3.46Å; E529-F602 VanDerWaalsContact OE2-CG 3.23Å; E529-F602 WeakPolarHBondContact OE2-CG 3.32Å
530	F	69.6	Low	66.3	Low	8 Å²	8	79.7 Å²	79.7	4%	0.035	40%	0.404	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.7	-10	176.1	-54.9	-82	0	0	0	114.5	C528 L545 H549 V551 F602 M605 K606 L609 V617	C528-F530 PolarHBondContact O-N 2.9Å; F530-L545 HydrophobicContact CD2-CD2 3.7Å; F530-L545 HydrophobicContact CE2-CD2 3.82Å; F530-H549 WeakPolarHBondContact CB-CE1 3.49Å; F530-H549 VanDerWaalsContact CB-ND1 3.34Å; F530-H549 WeakPolarHBondContact CB-ND1 3.42Å; F530-H549 HydrophobicContact CD2-CB 4.31Å; F530-H549 HydrophobicContact CG-CB 4.41Å; F530-H549 PolarHBondContact O-CE1 2.86Å; F530-V551 HydrophobicContact CE1-CG2 4.5Å; F530-V551 HydrophobicContact CE2-CB 4.47Å; F530-V551 HydrophobicContact CE2-CG1 4.48Å; F530-V551 HydrophobicContact CE2-CG2 4Å; F530-V551 HydrophobicContact CZ-CG2 3.83Å; F530-F602 AromaticContact CE2-CD1 3.63Å; F530-F602 HydrophobicContact CE2-CD1 3.63Å; F530-F602 HydrophobicContact CE2-CE1 4.08Å; F530-F602 AromaticContact CZ-CD1 3.84Å; F530-F602 HydrophobicContact CZ-CD1 3.84Å; F530-M605 HydrophobicContact CZ-CB 4.39Å; F530-M605 HydrophobicContact CZ-CG 4.16Å; F530-K606 HydrophobicContact CD1-CB 4.24Å; F530-K606 HydrophobicContact CD1-CG 4.42Å; F530-K606 HydrophobicContact CE1-CB 3.85Å; F530-L609 HydrophobicContact CE1-CD1 4.13Å; F530-V617 HydrophobicContact CB-CG1 3.83Å; F530-V617 HydrophobicContact CD1-CG1 4.15Å; F530-V617 WeakPolarHBondContact O-CG1 3.48Å
531	C	72.6	Confident	67.6	Low	37 Å²	37	74.3 Å²	74.3	25%	0.25	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-165	22	175.5	68.3	0	0	0	0	116	C528 K533 H544 H549	C528-C531 PolarHBondContact O-N 3.49Å; C531-K533 PolarHBondContact O-N 3.19Å; C531-K533 VanDerWaalsContact SG-CD 3.54Å; C531-K533 PolarHBondContact SG-NZ 3.41Å; C531-K533 VanDerWaalsContact SG-NZ 3.38Å; C531-H544 PolarHBondContact SG-CE1 3.17Å; C531-H544 PolarHBondContact SG-NE2 3.08Å; C531-H544 VanDerWaalsContact SG-NE2 3.35Å; C531-H549 PolarHBondContact SG-NE2 3.07Å
532	D	68.4	Low	68.9	Low	116 Å²	116	64.4 Å²	64.4	62%	0.62	33%	0.334	S	S	*	.			trans	55.3	8.1	175.3	-54.4	-40.6	0	0	0	117.2	C528 V534	C528-D532 WeakPolarHBondContact O-CA 3.13Å; C528-D532 PolarHBondContact O-N 3.05Å; D532-V534 WeakPolarHBondContact O-CG2 3.34Å; D532-V534 PolarHBondContact O-N 2.86Å
533	K	72.2	Confident	69.8	Low	108 Å²	108	67.6 Å²	67.6	47%	0.47	34%	0.338	S	S	.	.			trans	-65	124.9	178.3	-71.8	173	-167.5	129.8	0	110.2	C528 C531 F535	C528-K533 PolarHBondContact N-O 3.21Å; C531-K533 PolarHBondContact O-N 3.19Å; C531-K533 VanDerWaalsContact SG-CD 3.54Å; C531-K533 PolarHBondContact SG-NZ 3.41Å; C531-K533 VanDerWaalsContact SG-NZ 3.38Å; K533-F535 HydrophobicContact CB-CD2 4.46Å; K533-F535 HydrophobicContact CB-CE2 3.48Å; K533-F535 VanDerWaalsContact CB-CE2 3.48Å; K533-F535 HydrophobicContact CB-CZ 3.6Å; K533-F535 WeakPolarHBondContact O-CD2 3.34Å; K533-F535 WeakPolarHBondContact O-CE2 3.39Å
534	V	72.4	Confident	71.2	Confident	94 Å²	94	56.2 Å²	56.2	57%	0.57	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.7	119.2	-174.1	-174	0	0	0	0	110.6	D532	D532-V534 WeakPolarHBondContact O-CG2 3.34Å; D532-V534 PolarHBondContact O-N 2.86Å
535	F	76.3	Confident	72.1	Confident	32 Å²	32	49 Å²	49	14%	0.14	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	122.3	-174.4	-63	-81.8	0	0	0	112.8	S525 L526 C528 K533 Y537 V540 Y541 H544	S525-F535 WeakPolarHBondContact CA-O 3.45Å; L526-F535 PolarHBondContact N-O 3.47Å; L526-F535 PolarHBondContact O-N 3.07Å; C528-F535 HydrophobicContact CB-CE2 4.18Å; K533-F535 HydrophobicContact CB-CD2 4.46Å; K533-F535 HydrophobicContact CB-CE2 3.48Å; K533-F535 VanDerWaalsContact CB-CE2 3.48Å; K533-F535 HydrophobicContact CB-CZ 3.6Å; K533-F535 WeakPolarHBondContact O-CD2 3.34Å; K533-F535 WeakPolarHBondContact O-CE2 3.39Å; F535-Y537 PolarHBondContact O-N 3.32Å; F535-Y537 VanDerWaalsContact O-N 3.16Å; F535-V540 HydrophobicContact CD1-CB 4.16Å; F535-V540 HydrophobicContact CD1-CG1 3.55Å; F535-V540 HydrophobicContact CE1-CG1 3.82Å; F535-Y541 AromaticContact CD2-CD2 3.97Å; F535-Y541 HydrophobicContact CD2-CD2 3.97Å; F535-H544 HydrophobicContact CE1-CB 4.06Å; F535-H544 HydrophobicContact CE2-CB 4.24Å; F535-H544 AromaticContact CE2-CD2 3.11Å; F535-H544 WeakPolarHBondContact CE2-CD2 3.48Å; F535-H544 AromaticContact CE2-CG 3.78Å; F535-H544 AromaticContact CE2-NE2 3.71Å; F535-H544 HydrophobicContact CZ-CB 3.66Å; F535-H544 AromaticContact CZ-CD2 3.2Å; F535-H544 WeakPolarHBondContact CZ-CD2 3.36Å; F535-H544 AromaticContact CZ-CG 3.35Å; F535-H544 AromaticContact CZ-NE2 3.82Å
536	G	66.5	Low	72.8	Confident	33 Å²	33	51 Å²	51	34%	0.34	27%	0.266	S	S	.	.	S	Bend	trans	-73	6.8	170.6	0	0	0	0	0	115.4	P522	P522-G536 WeakPolarHBondContact CB-O 3.35Å; P522-G536 VanDerWaalsContact CG-CA 3.45Å; P522-G536 VanDerWaalsContact CG-O 3.32Å; P522-G536 WeakPolarHBondContact CG-O 3.46Å
537	Y	68	Low	72.9	Confident	74 Å²	74	55.6 Å²	55.6	29%	0.29	29%	0.286	S	S	.	.			trans	-153.9	125.8	-178.5	-165.1	-121.2	0	0	0	114	T511 L515 F535 G539 V540 Y541 Y644	T511-Y537 HydrophobicContact CG2-CE1 4.35Å; L515-Y537 VanDerWaalsContact CD1-CB 3.45Å; L515-Y537 HydrophobicContact CD1-CD1 4.02Å; L515-Y537 HydrophobicContact CD1-CG 3.79Å; L515-Y537 HydrophobicContact CD2-CD2 4.14Å; L515-Y537 HydrophobicContact CD2-CG 4.06Å; L515-Y537 HydrophobicContact CG-CG 4.49Å; F535-Y537 PolarHBondContact O-N 3.32Å; F535-Y537 VanDerWaalsContact O-N 3.16Å; Y537-G539 VanDerWaalsContact CD1-N 3.29Å; Y537-G539 PolarHBondContact O-N 3.28Å; Y537-G539 VanDerWaalsContact O-N 3.15Å; Y537-V540 HydrophobicContact CD1-CG2 4.11Å; Y537-V540 PolarHBondContact O-N 3.39Å; Y537-Y541 PolarHBondContact O-N 3.01Å; Y537-Y644 PolarHBondContact OH-OH 3.47Å
538	V	68.4	Low	72.9	Confident	23 Å²	23	56 Å²	56	14%	0.139	29%	0.286	C	S	.	.	H	α-helix	trans	-45.5	-43.1	172.3	-172.3	0	0	0	0	112.7	L526 V540 Y541 F542 Y644	L526-V538 HydrophobicContact CD1-CB 4.4Å; L526-V538 HydrophobicContact CD1-CG2 4.07Å; V538-V540 PolarHBondContact O-N 2.84Å; V538-Y541 PolarHBondContact O-N 3.44Å; V538-F542 HydrophobicContact CG1-CD2 3.6Å; V538-F542 HydrophobicContact CG1-CE2 3.34Å; V538-F542 HydrophobicContact CG1-CZ 4.38Å; V538-F542 VanDerWaalsContact O-CD2 3.3Å; V538-F542 WeakPolarHBondContact O-CD2 3.25Å; V538-F542 PolarHBondContact O-N 2.85Å; V538-Y644 HydrophobicContact CB-CE2 3.89Å; V538-Y644 HydrophobicContact CG1-CD2 3.92Å; V538-Y644 HydrophobicContact CG1-CE2 3.73Å; V538-Y644 HydrophobicContact CG2-CE2 4.47Å
539	G	71.8	Confident	72.7	Confident	28 Å²	28	56.8 Å²	56.8	29%	0.289	29%	0.29	S	S	.	.	H	α-helix	trans	-78.5	-10.5	179.8	0	0	0	0	0	116	Y537	Y537-G539 VanDerWaalsContact CD1-N 3.29Å; Y537-G539 PolarHBondContact O-N 3.28Å; Y537-G539 VanDerWaalsContact O-N 3.15Å
540	V	75.2	Confident	72.7	Confident	55 Å²	55	58.4 Å²	58.4	33%	0.333	29%	0.292	S	S	.	.	H	α-helix	trans	-92.9	-40.9	166.9	-177.7	0	0	0	0	109.5	L515 F535 Y537 V538 R543 H544	L515-V540 HydrophobicContact CD1-CG2 3.95Å; F535-V540 HydrophobicContact CD1-CB 4.16Å; F535-V540 HydrophobicContact CD1-CG1 3.55Å; F535-V540 HydrophobicContact CE1-CG1 3.82Å; Y537-V540 HydrophobicContact CD1-CG2 4.11Å; Y537-V540 PolarHBondContact O-N 3.39Å; V538-V540 PolarHBondContact O-N 2.84Å; V540-R543 WeakPolarHBondContact O-CA 3.43Å; V540-R543 WeakPolarHBondContact O-CB 3.11Å; V540-R543 PolarHBondContact O-N 3.36Å; V540-R543 VanDerWaalsContact O-N 3.08Å; V540-H544 WeakPolarHBondContact O-CB 3.43Å; V540-H544 PolarHBondContact O-N 3.26Å
541	Y	76.3	Confident	72.9	Confident	2 Å²	2	58 Å²	58	1%	0.008	29%	0.291	C	S	.	.	H	α-helix	trans	-52.7	-56.7	172.1	174.3	-103	0	0	0	112.2	L526 C527 C528 F535 Y537 V538 R543 H544 L545 L637	L526-Y541 HydrophobicContact CB-CD2 3.85Å; L526-Y541 HydrophobicContact CB-CE2 4.27Å; L526-Y541 HydrophobicContact CB-CG 3.98Å; L526-Y541 HydrophobicContact CD1-CD1 3.74Å; L526-Y541 HydrophobicContact CD1-CE1 4.32Å; L526-Y541 HydrophobicContact CD1-CG 3.84Å; C527-Y541 VanDerWaalsContact O-CE2 3.22Å; C527-Y541 WeakPolarHBondContact O-CE2 3.5Å; C528-Y541 HydrophobicContact CB-CE2 4.38Å; F535-Y541 AromaticContact CD2-CD2 3.97Å; F535-Y541 HydrophobicContact CD2-CD2 3.97Å; Y537-Y541 PolarHBondContact O-N 3.01Å; V538-Y541 PolarHBondContact O-N 3.44Å; Y541-R543 PolarHBondContact O-N 2.72Å; Y541-H544 WeakPolarHBondContact O-CB 3.4Å; Y541-H544 PolarHBondContact O-N 3.45Å; Y541-H544 VanDerWaalsContact O-N 3.12Å; Y541-L545 HydrophobicContact CD1-CD1 4.19Å; Y541-L545 HydrophobicContact CE1-CD1 3.56Å; Y541-L545 HydrophobicContact CE1-CG 4.35Å; Y541-L545 HydrophobicContact CE2-CD1 4.38Å; Y541-L545 HydrophobicContact CE2-CG 4.43Å; Y541-L545 PolarHBondContact O-N 3.13Å; Y541-L637 HydrophobicContact CD1-CD1 4.45Å; Y541-L637 HydrophobicContact CE1-CD1 3.96Å; Y541-L637 HydrophobicContact CE1-CD2 4.29Å
542	F	74.7	Confident	73	Confident	13 Å²	13	59 Å²	59	6%	0.057	30%	0.295	C	S	.	.	H	α-helix	trans	-65.2	-20.4	176.6	-74.6	-47.7	0	0	0	114.5	V538 L545 R546 L553 L637 A641 W645	V538-F542 HydrophobicContact CG1-CD2 3.6Å; V538-F542 HydrophobicContact CG1-CE2 3.34Å; V538-F542 HydrophobicContact CG1-CZ 4.38Å; V538-F542 VanDerWaalsContact O-CD2 3.3Å; V538-F542 WeakPolarHBondContact O-CD2 3.25Å; V538-F542 PolarHBondContact O-N 2.85Å; F542-L545 HydrophobicContact CD1-CD1 4.17Å; F542-R546 PolarHBondContact O-NH1 3.08Å; F542-R546 VanDerWaalsContact O-NH1 3.08Å; F542-R546 PolarHBondContact O-NH2 3Å; F542-L553 HydrophobicContact CD1-CG 4.48Å; F542-L553 HydrophobicContact CE1-CB 4.44Å; F542-L553 HydrophobicContact CE1-CD1 3.63Å; F542-L553 HydrophobicContact CE1-CG 3.95Å; F542-L553 HydrophobicContact CZ-CD1 4.4Å; F542-L637 HydrophobicContact CE1-CD1 4.27Å; F542-L637 HydrophobicContact CZ-CD1 3.78Å; F542-A641 HydrophobicContact CE2-CB 4.35Å; F542-A641 HydrophobicContact CZ-CB 3.95Å; F542-W645 HydrophobicContact CE1-CZ2 4.48Å; F542-W645 HydrophobicContact CZ-CZ2 4.36Å
543	R	72.2	Confident	73	Confident	131 Å²	131	54 Å²	54	49%	0.494	27%	0.268	S	S	.	.	H	α-helix	trans	-73.3	-51.6	171.7	175.7	-171.5	-68.6	-89.1	2.7	109.4	V540 Y541 L545 R546 E547	V540-R543 WeakPolarHBondContact O-CA 3.43Å; V540-R543 WeakPolarHBondContact O-CB 3.11Å; V540-R543 PolarHBondContact O-N 3.36Å; V540-R543 VanDerWaalsContact O-N 3.08Å; Y541-R543 PolarHBondContact O-N 2.72Å; R543-L545 PolarHBondContact O-N 3.12Å; R543-R546 PolarHBondContact O-N 3.16Å; R543-R546 VanDerWaalsContact O-N 3.11Å; R543-E547 WeakPolarHBondContact CD-OE1 3.14Å; R543-E547 VanDerWaalsContact CD-OE2 3.26Å; R543-E547 WeakPolarHBondContact CD-OE2 3.45Å; R543-E547 HydrophobicContact CG-CG 4.04Å; R543-E547 WeakPolarHBondContact CG-OE1 3.33Å; R543-E547 WeakPolarHBondContact CG-OE2 3.34Å; R543-E547 IonicContact CZ-OE1 3.17Å; R543-E547 IonicContact NE-OE1 2.65Å; R543-E547 IonicContact NH1-OE1 2.95Å; R543-E547 PolarHBondContact NH1-OE1 2.84Å; R543-E547 IonicContact NH1-OE2 3.78Å; R543-E547 WeakPolarHBondContact O-CB 3.49Å; R543-E547 PolarHBondContact O-N 3.18Å
544	H	76.8	Confident	72.5	Confident	15 Å²	15	49.9 Å²	49.9	7%	0.069	25%	0.252	C	S	.	.	H	α-helix	trans	-58.3	-43.4	179.3	161.4	56.6	0	0	0	112.5	C528 C531 F535 V540 Y541 R546 E547 V548 H549	C528-H544 WeakPolarHBondContact CB-NE2 3.48Å; C528-H544 PolarHBondContact SG-NE2 3.23Å; C531-H544 PolarHBondContact SG-CE1 3.17Å; C531-H544 PolarHBondContact SG-NE2 3.08Å; C531-H544 VanDerWaalsContact SG-NE2 3.35Å; F535-H544 HydrophobicContact CE1-CB 4.06Å; F535-H544 HydrophobicContact CE2-CB 4.24Å; F535-H544 AromaticContact CE2-CD2 3.11Å; F535-H544 WeakPolarHBondContact CE2-CD2 3.48Å; F535-H544 AromaticContact CE2-CG 3.78Å; F535-H544 AromaticContact CE2-NE2 3.71Å; F535-H544 HydrophobicContact CZ-CB 3.66Å; F535-H544 AromaticContact CZ-CD2 3.2Å; F535-H544 WeakPolarHBondContact CZ-CD2 3.36Å; F535-H544 AromaticContact CZ-CG 3.35Å; F535-H544 AromaticContact CZ-NE2 3.82Å; V540-H544 WeakPolarHBondContact O-CB 3.43Å; V540-H544 PolarHBondContact O-N 3.26Å; Y541-H544 WeakPolarHBondContact O-CB 3.4Å; Y541-H544 PolarHBondContact O-N 3.45Å; Y541-H544 VanDerWaalsContact O-N 3.12Å; H544-R546 VanDerWaalsContact C-N 3.3Å; H544-R546 PolarHBondContact O-N 3.26Å; H544-E547 PolarHBondContact O-N 2.8Å; H544-V548 VanDerWaalsContact ND1-CG2 3.29Å; H544-V548 WeakPolarHBondContact ND1-CG2 3.09Å; H544-V548 WeakPolarHBondContact O-CB 3.09Å; H544-V548 PolarHBondContact O-N 3.34Å; H544-H549 AromaticContact CE1-CD2 3.51Å; H544-H549 AromaticContact CE1-NE2 3.22Å; H544-H549 PolarHBondContact CE1-NE2 3.09Å; H544-H549 AromaticContact NE2-CD2 3.68Å; H544-H549 AromaticContact NE2-NE2 3.48Å; H544-H549 PolarHBondContact NE2-NE2 2.62Å
545	L	75.9	Confident	71.6	Confident	1 Å²	1	47.1 Å²	47.1	1%	0.005	24%	0.235	C	C	.	.	H	α-helix	trans	-54.7	-44.5	173.1	-73.2	-178.1	0	0	0	112.3	F530 Y541 F542 R543 H549 R550 V551 L553 F602	F530-L545 HydrophobicContact CD2-CD2 3.7Å; F530-L545 HydrophobicContact CE2-CD2 3.82Å; Y541-L545 HydrophobicContact CD1-CD1 4.19Å; Y541-L545 HydrophobicContact CE1-CD1 3.56Å; Y541-L545 HydrophobicContact CE1-CG 4.35Å; Y541-L545 HydrophobicContact CE2-CD1 4.38Å; Y541-L545 HydrophobicContact CE2-CG 4.43Å; Y541-L545 PolarHBondContact O-N 3.13Å; F542-L545 HydrophobicContact CD1-CD1 4.17Å; R543-L545 PolarHBondContact O-N 3.12Å; L545-H549 CarbonylContact O-C 3.31Å; L545-H549 VanDerWaalsContact O-C 3.31Å; L545-H549 WeakPolarHBondContact O-CA 3.48Å; L545-H549 PolarHBondContact O-N 2.95Å; L545-R550 PolarHBondContact O-N 2.94Å; L545-V551 CarbonylContact C-O 3.16Å; L545-V551 HydrophobicContact CB-CB 4.49Å; L545-V551 PolarHBondContact O-N 3.3Å; L545-L553 HydrophobicContact CD1-CD2 4.45Å; L545-L553 HydrophobicContact CD1-CG 4.4Å; L545-F602 HydrophobicContact CD1-CE1 4.35Å
546	R	77.1	Confident	70.1	Confident	111 Å²	111	51.3 Å²	51.3	42%	0.419	26%	0.256	S	S	.	.	H	α-helix	trans	-78.4	-35.4	179.9	-70.8	-168.9	-56.9	-84.9	-12.1	114.7	F542 R543 H544 R550 V551 V552	F542-R546 PolarHBondContact O-NH1 3.08Å; F542-R546 VanDerWaalsContact O-NH1 3.08Å; F542-R546 PolarHBondContact O-NH2 3Å; R543-R546 PolarHBondContact O-N 3.16Å; R543-R546 VanDerWaalsContact O-N 3.11Å; H544-R546 VanDerWaalsContact C-N 3.3Å; H544-R546 PolarHBondContact O-N 3.26Å; R546-R550 WeakPolarHBondContact O-CA 3.31Å; R546-V551 WeakPolarHBondContact CG-O 3.42Å; R546-V551 PolarHBondContact N-O 3.29Å; R546-V552 HydrophobicContact CG-CG2 4Å
547	E	72.7	Confident	68.8	Low	124 Å²	124	54.6 Å²	54.6	58%	0.579	27%	0.271	S	S	*	.	H	α-helix	trans	-87.7	-27.9	-174.2	-71.5	175.4	-172.6	0	0	112.5	R543 H544	R543-E547 WeakPolarHBondContact CD-OE1 3.14Å; R543-E547 VanDerWaalsContact CD-OE2 3.26Å; R543-E547 WeakPolarHBondContact CD-OE2 3.45Å; R543-E547 HydrophobicContact CG-CG 4.04Å; R543-E547 WeakPolarHBondContact CG-OE1 3.33Å; R543-E547 WeakPolarHBondContact CG-OE2 3.34Å; R543-E547 IonicContact CZ-OE1 3.17Å; R543-E547 IonicContact NE-OE1 2.65Å; R543-E547 IonicContact NH1-OE1 2.95Å; R543-E547 PolarHBondContact NH1-OE1 2.84Å; R543-E547 IonicContact NH1-OE2 3.78Å; R543-E547 WeakPolarHBondContact O-CB 3.49Å; R543-E547 PolarHBondContact O-N 3.18Å; H544-E547 PolarHBondContact O-N 2.8Å
548	V	73.4	Confident	67.3	Low	77 Å²	77	53.4 Å²	53.4	47%	0.467	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.1	-56.3	179.7	-177.5	0	0	0	0	111.4	H544	H544-V548 VanDerWaalsContact ND1-CG2 3.29Å; H544-V548 WeakPolarHBondContact ND1-CG2 3.09Å; H544-V548 WeakPolarHBondContact O-CB 3.09Å; H544-V548 PolarHBondContact O-N 3.34Å
549	H	72.4	Confident	65.6	Low	16 Å²	16	59.6 Å²	59.6	7%	0.074	30%	0.304	C	S	.	.	S	Bend	trans	-90.3	-2	-175.7	-59.3	-70.4	0	0	0	113.6	F530 C531 H544 L545 V551	F530-H549 WeakPolarHBondContact CB-CE1 3.49Å; F530-H549 VanDerWaalsContact CB-ND1 3.34Å; F530-H549 WeakPolarHBondContact CB-ND1 3.42Å; F530-H549 HydrophobicContact CD2-CB 4.31Å; F530-H549 HydrophobicContact CG-CB 4.41Å; F530-H549 PolarHBondContact O-CE1 2.86Å; C531-H549 PolarHBondContact SG-NE2 3.07Å; H544-H549 AromaticContact CE1-CD2 3.51Å; H544-H549 AromaticContact CE1-NE2 3.22Å; H544-H549 PolarHBondContact CE1-NE2 3.09Å; H544-H549 AromaticContact NE2-CD2 3.68Å; H544-H549 AromaticContact NE2-NE2 3.48Å; H544-H549 PolarHBondContact NE2-NE2 2.62Å; L545-H549 CarbonylContact O-C 3.31Å; L545-H549 VanDerWaalsContact O-C 3.31Å; L545-H549 WeakPolarHBondContact O-CA 3.48Å; L545-H549 PolarHBondContact O-N 2.95Å; H549-V551 HydrophobicContact CB-CG2 4.13Å; H549-V551 WeakPolarHBondContact O-CG2 3.33Å; H549-V551 PolarHBondContact O-N 3.27Å
550	R	74.1	Confident	63.7	Low	128 Å²	128	62.6 Å²	62.6	48%	0.483	32%	0.321	S	S	.	.			trans	53.1	23.5	-174.4	-53.1	-175.2	-172.5	174.9	5.2	113.9	L545 R546 G593 R594	L545-R550 PolarHBondContact O-N 2.94Å; R546-R550 WeakPolarHBondContact O-CA 3.31Å; R550-G593 WeakPolarHBondContact O-CA 3.49Å; R550-G593 PolarHBondContact O-N 3.46Å; R550-R594 HydrophobicContact CB-CG 4.47Å
551	V	74.6	Confident	61.6	Low	1 Å²	1	69.9 Å²	69.9	1%	0.006	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	130.8	-179.5	173.1	0	0	0	0	111.2	F530 L545 R546 H549 L553 I590 M605 L609	F530-V551 HydrophobicContact CE1-CG2 4.5Å; F530-V551 HydrophobicContact CE2-CB 4.47Å; F530-V551 HydrophobicContact CE2-CG1 4.48Å; F530-V551 HydrophobicContact CE2-CG2 4Å; F530-V551 HydrophobicContact CZ-CG2 3.83Å; L545-V551 CarbonylContact C-O 3.16Å; L545-V551 HydrophobicContact CB-CB 4.49Å; L545-V551 PolarHBondContact O-N 3.3Å; R546-V551 WeakPolarHBondContact CG-O 3.42Å; R546-V551 PolarHBondContact N-O 3.29Å; H549-V551 HydrophobicContact CB-CG2 4.13Å; H549-V551 WeakPolarHBondContact O-CG2 3.33Å; H549-V551 PolarHBondContact O-N 3.27Å; V551-L553 HydrophobicContact CG1-CD2 3.82Å; V551-I590 HydrophobicContact CG1-CG2 3.48Å; V551-I590 VanDerWaalsContact CG1-CG2 3.48Å; V551-M605 HydrophobicContact CG1-CG 4.3Å; V551-M605 HydrophobicContact CG2-CG 3.76Å; V551-M605 HydrophobicContact CG2-SD 4.37Å; V551-L609 HydrophobicContact CG2-CD1 3.86Å
552	V	73.3	Confident	59.6	Low	56 Å²	56	77.3 Å²	77.3	34%	0.339	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	102.5	176.5	-177.5	0	0	0	0	108.8	R546 T554 K591	R546-V552 HydrophobicContact CG-CG2 4Å; V552-T554 PolarHBondContact O-N 3.05Å; V552-K591 HydrophobicContact CB-CB 4.48Å; V552-K591 PolarHBondContact N-O 3.37Å; V552-K591 WeakPolarHBondContact O-CA 3.33Å; V552-K591 WeakPolarHBondContact O-CB 3.23Å; V552-K591 PolarHBondContact O-N 3.12Å
553	L	68.9	Low	57.6	Low	12 Å²	12	83.6 Å²	83.6	6%	0.063	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	135.6	172.3	-53.7	-156.7	0	0	0	110.2	F542 L545 V551 I590 F602 L637 W645	F542-L553 HydrophobicContact CD1-CG 4.48Å; F542-L553 HydrophobicContact CE1-CB 4.44Å; F542-L553 HydrophobicContact CE1-CD1 3.63Å; F542-L553 HydrophobicContact CE1-CG 3.95Å; F542-L553 HydrophobicContact CZ-CD1 4.4Å; L545-L553 HydrophobicContact CD1-CD2 4.45Å; L545-L553 HydrophobicContact CD1-CG 4.4Å; V551-L553 HydrophobicContact CG1-CD2 3.82Å; L553-I590 HydrophobicContact CD2-CB 4.23Å; L553-I590 HydrophobicContact CD2-CD1 3.85Å; L553-I590 HydrophobicContact CD2-CG1 3.93Å; L553-I590 HydrophobicContact CD2-CG2 3.7Å; L553-F602 HydrophobicContact CD1-CE1 4.46Å; L553-F602 HydrophobicContact CD1-CE2 4.48Å; L553-F602 HydrophobicContact CD1-CZ 3.74Å; L553-F602 HydrophobicContact CD2-CE1 3.79Å; L553-F602 HydrophobicContact CD2-CZ 3.84Å; L553-F602 HydrophobicContact CG-CZ 4.41Å; L553-L637 HydrophobicContact CD1-CD2 4.13Å; L553-W645 VanDerWaalsContact C-CH2 3.46Å; L553-W645 HydrophobicContact CB-CH2 3.61Å; L553-W645 HydrophobicContact CB-CZ2 3.63Å; L553-W645 VanDerWaalsContact O-CH2 3.3Å; L553-W645 WeakPolarHBondContact O-CH2 3.48Å
554	T	60.7	Low	55.8	Low	22 Å²	22	83.4 Å²	83.4	14%	0.135	42%	0.415	C	S	.	.			trans	-123.2	175.2	157.5	49.8	0	0	0	0	109.5	V552 Q589 K591 W645	V552-T554 PolarHBondContact O-N 3.05Å; T554-Q589 CarbonylContact C-O 3.31Å; T554-Q589 WeakPolarHBondContact CA-O 3.22Å; T554-Q589 WeakPolarHBondContact CB-O 3.3Å; T554-Q589 PolarHBondContact N-O 3.46Å; T554-Q589 CarbonylContact O-C 3.43Å; T554-Q589 VanDerWaalsContact O-C 3.27Å; T554-Q589 WeakPolarHBondContact O-CA 3.44Å; T554-Q589 PolarHBondContact O-N 3.2Å; T554-Q589 PolarHBondContact OG1-O 3.39Å; T554-K591 HydrophobicContact CG2-CD 4.41Å; T554-K591 PolarHBondContact OG1-NZ 3.29Å; T554-W645 VanDerWaalsContact CA-CZ3 3.41Å
555	V	54.9	Low	53.7	Low	35 Å²	35	89.7 Å²	89.7	21%	0.212	45%	0.449	C	S	.	.			trans	-161.2	116	-176.9	172.1	0	0	0	0	101.7	V586 L588 W645	V555-V586 HydrophobicContact CG1-CG1 3.51Å; V555-L588 HydrophobicContact CG2-CD2 3.57Å; V555-W645 HydrophobicContact CB-CE3 4.49Å; V555-W645 HydrophobicContact CB-CH2 4.37Å; V555-W645 HydrophobicContact CB-CZ3 3.66Å; V555-W645 HydrophobicContact CG2-CH2 3.8Å; V555-W645 HydrophobicContact CG2-CZ3 3.58Å; V555-W645 VanDerWaalsContact N-CZ3 3.34Å
556	E	45.3	Very low	51.7	Low	121 Å²	121	95.2 Å²	95.2	57%	0.565	48%	0.483	S	S	*	.			trans	-104.6	138.1	162.1	-57	-155.7	134.2	0	0	105.8	S558	E556-S558 PolarHBondContact O-N 3.39Å
557	P	38.1	Very low	49.8	Very low	102 Å²	102	95.3 Å²	95.3	66%	0.662	50%	0.5	S	S	*	.			trans	-59.4	130.5	170.1	-15.5	29.4	0	0	0	107.7	I559	P557-I559 PolarHBondContact O-N 2.84Å
558	S	36.2	Very low	48.3	Very low	48 Å²	48	96 Å²	96	34%	0.336	51%	0.507	S	S	.	.			trans	-51.5	105.3	177.2	-47.1	0	0	0	0	109.3	E556 S560 P585	E556-S558 PolarHBondContact O-N 3.39Å; S558-S560 PolarHBondContact O-N 2.82Å; S558-P585 PolarHBondContact OG-O 3.5Å; S558-P585 VanDerWaalsContact OG-O 3.08Å
559	I	33.3	Very low	46.7	Very low	153 Å²	153	101.4 Å²	101.4	79%	0.785	53%	0.528	S	S	*	.			trans	-83.4	96.4	166.5	-60.1	178.3	0	0	0	104.2	P557 R561	P557-I559 PolarHBondContact O-N 2.84Å; I559-R561 PolarHBondContact O-N 2.79Å
560	S	32.3	Very low	45	Very low	92 Å²	92	103.7 Å²	103.7	64%	0.643	56%	0.555	S	S	*	*			trans	-55.2	108.8	174.1	42.4	0	0	0	0	109.2	S558 H562	S558-S560 PolarHBondContact O-N 2.82Å; S560-H562 PolarHBondContact O-N 2.75Å; S560-H562 VanDerWaalsContact O-N 3.13Å
561	R	31	Very low	42.9	Very low	207 Å²	207	104.3 Å²	104.3	78%	0.781	57%	0.574	S	S	*	*			trans	-74.9	99.4	165	-70.8	-168	-178.7	-167.9	2.3	106.9	I559 E563	I559-R561 PolarHBondContact O-N 2.79Å; R561-E563 HydrophobicContact CB-CG 4.34Å; R561-E563 WeakPolarHBondContact CD-OE1 3.47Å; R561-E563 IonicContact NH1-OE1 2.94Å; R561-E563 PolarHBondContact O-N 2.98Å
562	H	32.9	Very low	40.9	Very low	159 Å²	159	110.5 Å²	110.5	74%	0.736	61%	0.611	S	S	*	*			trans	-69.1	91.9	157.2	-130.5	-96.4	0	0	0	106.3	S560 D564	S560-H562 PolarHBondContact O-N 2.75Å; S560-H562 VanDerWaalsContact O-N 3.13Å; H562-D564 IonicContact CE1-OD1 3.88Å; H562-D564 IonicContact CG-OD1 3.33Å; H562-D564 IonicContact ND1-OD1 2.7Å; H562-D564 PolarHBondContact ND1-OD1 2.75Å
563	E	33	Very low	39.1	Very low	144 Å²	144	112.7 Å²	112.7	67%	0.673	63%	0.629	S	S	*	*			trans	-81.5	109.1	158.8	-54	-77.3	152.3	0	0	104.3	R561 D565	R561-E563 HydrophobicContact CB-CG 4.34Å; R561-E563 WeakPolarHBondContact CD-OE1 3.47Å; R561-E563 IonicContact NH1-OE1 2.94Å; R561-E563 PolarHBondContact O-N 2.98Å; E563-D565 PolarHBondContact O-N 3.43Å
564	D	35.8	Very low	37.9	Very low	127 Å²	127	117.4 Å²	117.4	68%	0.679	66%	0.66	S	S	*	*			trans	-76.5	88.3	-171.7	-68.1	-47.1	0	0	0	111.4	H562	H562-D564 IonicContact CE1-OD1 3.88Å; H562-D564 IonicContact CG-OD1 3.33Å; H562-D564 IonicContact ND1-OD1 2.7Å; H562-D564 PolarHBondContact ND1-OD1 2.75Å
565	D	32.3	Very low	36.6	Very low	147 Å²	147	124.3 Å²	124.3	79%	0.786	69%	0.691	S	S	*	*			trans	-87.7	117.3	167.4	-169.5	16.1	0	0	0	110.7	E563	E563-D565 PolarHBondContact O-N 3.43Å
566	V	34.1	Very low	36.1	Very low	117 Å²	117	127.6 Å²	127.6	71%	0.709	71%	0.713	S	S	*	*			trans	-110.2	97.4	-174.9	179.2	0	0	0	0	109.4
567	S	35.5	Very low	35.6	Very low	113 Å²	113	127.4 Å²	127.4	79%	0.79	73%	0.725	S	S	*	*			trans	-106.7	128.7	163.9	-73.8	0	0	0	0	109.6
568	L	42.3	Very low	35.3	Very low	138 Å²	138	129.8 Å²	129.8	72%	0.723	73%	0.732	S	S	*	*			trans	-129.2	119.2	-164.3	-166.4	144.9	0	0	0	112.6
569	E	40.2	Very low	35.5	Very low	192 Å²	192	137.2 Å²	137.2	90%	0.897	76%	0.761	S	S	*	*			trans	61.3	146	172.6	-66.9	-170.6	-173.7	0	0	119.5
570	G	35.3	Very low	35.7	Very low	64 Å²	64	137.6 Å²	137.6	66%	0.66	76%	0.76	S	S	*	*			cis	163.8	148	-10	0	0	0	0	0	115
571	T	31.2	Very low	35.8	Very low	141 Å²	141	139.6 Å²	139.6	87%	0.865	76%	0.764	S	S	*	*			trans	-154.5	112.6	163	-56.5	0	0	0	0	111.4
572	V	32.8	Very low	36.2	Very low	131 Å²	131	141 Å²	141	79%	0.794	77%	0.769	S	S	*	*			trans	9.8	115.6	159.1	-168.8	0	0	0	0	120.4
573	S	34.8	Very low	36.6	Very low	101 Å²	101	141.7 Å²	141.7	71%	0.706	77%	0.772	S	S	*	*			trans	18.3	156.5	132.3	-56.5	0	0	0	0	122.6
574	P	43	Very low	37	Very low	112 Å²	112	139.7 Å²	139.7	73%	0.727	77%	0.766	S	S	*	*			cis	-147.7	144.5	28.1	39	-17.4	0	0	0	120.8
575	E	34.8	Very low	37.6	Very low	167 Å²	167	137.4 Å²	137.4	78%	0.78	76%	0.759	S	S	*	*			trans	60.5	175	137.8	-58	-63.4	116.9	0	0	118.4
576	P	43.8	Very low	38.7	Very low	104 Å²	104	133.5 Å²	133.5	68%	0.675	74%	0.74	S	S	*	*				-132	132.5	-96.6	33.7	-12.3	0	0	0	114.7
577	S	34.2	Very low	39.8	Very low	117 Å²	117	133.3 Å²	133.3	82%	0.818	73%	0.731	S	S	*	*			trans	-148.8	147.8	172.7	-71.3	0	0	0	0	113.5
578	D	32.7	Very low	41.2	Very low	151 Å²	151	128 Å²	128	81%	0.807	69%	0.694	S	S	*	*			trans	54.9	93.9	169.9	-58.8	-35.6	0	0	0	118.2	Q580	D578-Q580 PolarHBondContact O-N 3.48Å
579	E	40.3	Very low	42.6	Very low	204 Å²	204	124.2 Å²	124.2	95%	0.953	67%	0.672	S	S	*	*			trans	-66.4	77.6	153.1	-72.6	-161.2	126.3	0	0	110	D581	E579-D581 PolarHBondContact O-N 2.99Å
580	Q	37.3	Very low	44.3	Very low	162 Å²	162	115 Å²	115	76%	0.757	63%	0.63	S	S	*	*			trans	-71	95.9	169	-172.9	66.3	74.6	0	0	108.7	D578 R582	D578-Q580 PolarHBondContact O-N 3.48Å; Q580-R582 PolarHBondContact O-N 2.89Å
581	D	33.9	Very low	46.2	Very low	134 Å²	134	114.8 Å²	114.8	72%	0.717	61%	0.61	S	S	*	*			trans	-48.4	105.3	-179	-163.4	-0.6	0	0	0	111.2	E579 E583	E579-D581 PolarHBondContact O-N 2.99Å; D581-E583 VanDerWaalsContact C-N 3.27Å; D581-E583 PolarHBondContact O-N 3.44Å
582	R	40.8	Very low	48.4	Very low	236 Å²	236	108.5 Å²	108.5	89%	0.891	57%	0.572	S	S	*	*			trans	-80.4	77.6	-178.8	-68.4	-179.4	86.7	165.5	3.3	108.6	Q580 D584	Q580-R582 PolarHBondContact O-N 2.89Å; R582-D584 VanDerWaalsContact C-N 3.33Å; R582-D584 PolarHBondContact O-N 3.2Å
583	E	39.5	Very low	50.2	Low	173 Å²	173	104.5 Å²	104.5	81%	0.808	56%	0.557	S	S	*	*			trans	-57.5	95	166.3	-72.8	-162.9	133.1	0	0	109.5	D581 P585	D581-E583 VanDerWaalsContact C-N 3.27Å; D581-E583 PolarHBondContact O-N 3.44Å; E583-P585 WeakPolarHBondContact O-CD 3.49Å
584	D	42.3	Very low	51.6	Low	102 Å²	102	103.9 Å²	103.9	55%	0.545	54%	0.539	S	S	.	.			trans	-59.3	115.4	179.8	-167.3	27.3	0	0	0	109.7	R582 V586	R582-D584 VanDerWaalsContact C-N 3.33Å; R582-D584 PolarHBondContact O-N 3.2Å; D584-V586 PolarHBondContact O-N 2.68Å
585	P	47.6	Very low	53	Low	80 Å²	80	100.7 Å²	100.7	52%	0.519	52%	0.519	S	S	.	.			trans	-68.6	129.6	-165.5	25.3	-34	0	0	0	111.6	S558 E583 E587	S558-P585 PolarHBondContact OG-O 3.5Å; S558-P585 VanDerWaalsContact OG-O 3.08Å; E583-P585 WeakPolarHBondContact O-CD 3.49Å; P585-E587 PolarHBondContact O-N 3.19Å
586	V	55.7	Low	54.7	Low	64 Å²	64	100 Å²	100	39%	0.388	52%	0.516	S	S	.	.			trans	-80.1	86.8	176.6	-179.5	0	0	0	0	109.1	V555 D584 V638	V555-V586 HydrophobicContact CG1-CG1 3.51Å; D584-V586 PolarHBondContact O-N 2.68Å; V586-V638 HydrophobicContact CB-CG1 4.1Å; V586-V638 HydrophobicContact CG1-CG1 3.73Å
587	E	57.8	Low	56	Low	113 Å²	113	96.7 Å²	96.7	53%	0.528	50%	0.497	S	S	.	.			trans	-61.2	136.1	-170.2	-60	-167.4	149.7	0	0	114.3	P585 Q589	P585-E587 PolarHBondContact O-N 3.19Å; E587-Q589 PolarHBondContact O-N 3.15Å
588	L	65.3	Low	57.7	Low	1 Å²	1	94 Å²	94	1%	0.005	48%	0.476	C	S	.	.			trans	-77.3	83.7	173.8	-77.4	-173.8	0	0	0	110.8	V555 I590 P600 F602 E634 L637 V638	V555-L588 HydrophobicContact CG2-CD2 3.57Å; L588-I590 VanDerWaalsContact C-N 3.33Å; L588-I590 HydrophobicContact CB-CG1 4.42Å; L588-I590 WeakPolarHBondContact O-CG1 3.31Å; L588-I590 PolarHBondContact O-N 3.21Å; L588-P600 CarbonylContact O-C 3.28Å; L588-F602 HydrophobicContact CD1-CE2 3.9Å; L588-E634 HydrophobicContact CD1-CG 3.59Å; L588-E634 HydrophobicContact CG-CG 4.22Å; L588-L637 HydrophobicContact CD1-CD2 4.28Å; L588-V638 HydrophobicContact CD1-CG2 4.36Å; L588-V638 HydrophobicContact CD2-CB 4.34Å; L588-V638 HydrophobicContact CD2-CG2 3.43Å; L588-V638 VanDerWaalsContact CD2-CG2 3.43Å; L588-V638 HydrophobicContact CG-CG2 3.65Å
589	Q	70.9	Confident	59.4	Low	59 Å²	59	87.7 Å²	87.7	28%	0.276	44%	0.443	S	S	.	.			trans	-67	84.7	175.5	-167.7	-179.1	86.7	0	0	112.6	T554 E587 T598 T599	T554-Q589 CarbonylContact C-O 3.31Å; T554-Q589 WeakPolarHBondContact CA-O 3.22Å; T554-Q589 WeakPolarHBondContact CB-O 3.3Å; T554-Q589 PolarHBondContact N-O 3.46Å; T554-Q589 CarbonylContact O-C 3.43Å; T554-Q589 VanDerWaalsContact O-C 3.27Å; T554-Q589 WeakPolarHBondContact O-CA 3.44Å; T554-Q589 PolarHBondContact O-N 3.2Å; T554-Q589 PolarHBondContact OG1-O 3.39Å; E587-Q589 PolarHBondContact O-N 3.15Å; Q589-T598 HydrophobicContact CG-CG2 3.19Å; Q589-T599 CarbonylContact C-O 3.42Å
590	I	76.7	Confident	60.6	Low	0 Å²	0	81 Å²	81	0%	0	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	127.1	-178.5	-47.9	-156.9	0	0	0	110.5	V551 L553 L588 T598 T599 F602 M605	V551-I590 HydrophobicContact CG1-CG2 3.48Å; V551-I590 VanDerWaalsContact CG1-CG2 3.48Å; L553-I590 HydrophobicContact CD2-CB 4.23Å; L553-I590 HydrophobicContact CD2-CD1 3.85Å; L553-I590 HydrophobicContact CD2-CG1 3.93Å; L553-I590 HydrophobicContact CD2-CG2 3.7Å; L588-I590 VanDerWaalsContact C-N 3.33Å; L588-I590 HydrophobicContact CB-CG1 4.42Å; L588-I590 WeakPolarHBondContact O-CG1 3.31Å; L588-I590 PolarHBondContact O-N 3.21Å; I590-T598 CarbonylContact O-C 3.37Å; I590-T598 VanDerWaalsContact O-CA 3.24Å; I590-T598 WeakPolarHBondContact O-CA 3.42Å; I590-T599 PolarHBondContact N-O 3.23Å; I590-T599 PolarHBondContact O-N 2.92Å; I590-F602 HydrophobicContact CD1-CB 4.11Å; I590-F602 HydrophobicContact CD1-CD1 3.56Å; I590-F602 HydrophobicContact CD1-CD2 3.57Å; I590-F602 HydrophobicContact CD1-CE1 3.84Å; I590-F602 HydrophobicContact CD1-CE2 3.84Å; I590-F602 HydrophobicContact CD1-CG 3.43Å; I590-F602 VanDerWaalsContact CD1-CG 3.43Å; I590-F602 HydrophobicContact CD1-CZ 3.98Å; I590-M605 HydrophobicContact CB-CB 4.46Å; I590-M605 HydrophobicContact CB-CE 4.42Å; I590-M605 HydrophobicContact CG2-CB 3.85Å; I590-M605 HydrophobicContact CG2-CE 4.02Å; I590-M605 HydrophobicContact CG2-CG 3.68Å; I590-M605 HydrophobicContact CG2-SD 4.4Å
591	K	75.6	Confident	62.2	Low	59 Å²	59	75.7 Å²	75.7	26%	0.257	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	138	174.5	-66.3	-164.9	165.2	73.8	0	112.3	V552 T554 T598	V552-K591 HydrophobicContact CB-CB 4.48Å; V552-K591 PolarHBondContact N-O 3.37Å; V552-K591 WeakPolarHBondContact O-CA 3.33Å; V552-K591 WeakPolarHBondContact O-CB 3.23Å; V552-K591 PolarHBondContact O-N 3.12Å; T554-K591 HydrophobicContact CG2-CD 4.41Å; T554-K591 PolarHBondContact OG1-NZ 3.29Å; K591-T598 WeakPolarHBondContact CE-OG1 3.17Å; K591-T598 HydrophobicContact CG-CG2 3.91Å
592	C	76.8	Confident	63.9	Low	8 Å²	8	69.9 Å²	69.9	5%	0.054	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	147.6	163.8	-170.6	0	0	0	0	109.9	R594 C595 A597 M605 H608	C592-R594 PolarHBondContact SG-N 3.44Å; C592-C595 VanDerWaalsContact O-O 3.08Å; C592-A597 HydrophobicContact CB-CB 4.5Å; C592-A597 PolarHBondContact N-O 3.31Å; C592-M605 HydrophobicContact CB-CE 4.17Å; C592-M605 HydrophobicContact CB-SD 3.87Å; C592-H608 WeakPolarHBondContact CB-NE2 3.29Å; C592-H608 PolarHBondContact SG-NE2 3.15Å
593	G	70.4	Confident	65.3	Low	47 Å²	47	61.8 Å²	61.8	49%	0.485	35%	0.348	S	S	.	.	S	Bend	trans	-102.2	-2.1	172.4	0	0	0	0	0	113.8	R550	R550-G593 WeakPolarHBondContact O-CA 3.49Å; R550-G593 PolarHBondContact O-N 3.46Å
594	R	64.5	Low	66.8	Low	88 Å²	88	56.6 Å²	56.6	33%	0.332	33%	0.326	S	S	.	.	S	Bend	trans	-91.8	-47.2	173.1	-64	176.5	175.3	-110.1	-16.6	111	R550 C592 H613 E615	R550-R594 HydrophobicContact CB-CG 4.47Å; C592-R594 PolarHBondContact SG-N 3.44Å; R594-H613 WeakPolarHBondContact CB-NE2 3.18Å; R594-H613 VanDerWaalsContact CD-CG 3.46Å; R594-E615 IonicContact CZ-OE1 3.98Å; R594-E615 IonicContact CZ-OE2 3.71Å; R594-E615 IonicContact NE-OE1 2.75Å; R594-E615 IonicContact NE-OE2 2.68Å; R594-E615 PolarHBondContact NE-OE2 2.79Å; R594-E615 IonicContact NH1-OE1 3.19Å; R594-E615 IonicContact NH1-OE2 3.99Å; R594-E615 IonicContact NH2-OE1 3.05Å; R594-E615 PolarHBondContact NH2-OE1 3.02Å; R594-E615 IonicContact NH2-OE2 3.99Å; R594-E615 PolarHBondContact NH2-OE2 3.37Å
595	C	71.6	Confident	68.3	Low	46 Å²	46	51.7 Å²	51.7	31%	0.311	30%	0.3	S	S	.	.	S	Bend	trans	-120.2	-167.3	173.7	72.1	0	0	0	0	111.3	C592 A597 H608 H613	C592-C595 VanDerWaalsContact O-O 3.08Å; C595-A597 WeakPolarHBondContact SG-CB 3.2Å; C595-A597 PolarHBondContact SG-N 2.91Å; C595-H608 PolarHBondContact SG-CE1 3.47Å; C595-H608 PolarHBondContact SG-NE2 3.15Å; C595-H613 PolarHBondContact SG-NE2 2.97Å
596	Q	71.2	Confident	69.4	Low	153 Å²	153	50.5 Å²	50.5	72%	0.715	29%	0.286	S	S	*	.	S	Bend	trans	-98.9	7.7	176.5	-69.6	172.6	107.9	0	0	113.2	T598	Q596-T598 PolarHBondContact O-OG1 3.4Å
597	A	70.4	Confident	69.9	Low	34 Å²	34	52 Å²	52	28%	0.281	29%	0.29	S	S	.	.			trans	-59.1	143.3	175.7	0	0	0	0	0	111.1	C592 C595 H608	C592-A597 HydrophobicContact CB-CB 4.5Å; C592-A597 PolarHBondContact N-O 3.31Å; C595-A597 WeakPolarHBondContact SG-CB 3.2Å; C595-A597 PolarHBondContact SG-N 2.91Å; A597-H608 WeakPolarHBondContact CB-CE1 3.38Å
598	T	69.5	Low	70.7	Confident	59 Å²	59	47.7 Å²	47.7	36%	0.362	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	124.3	-165.4	-60.5	0	0	0	0	107.7	Q589 I590 K591 Q596	Q589-T598 HydrophobicContact CG-CG2 3.19Å; I590-T598 CarbonylContact O-C 3.37Å; I590-T598 VanDerWaalsContact O-CA 3.24Å; I590-T598 WeakPolarHBondContact O-CA 3.42Å; K591-T598 WeakPolarHBondContact CE-OG1 3.17Å; K591-T598 HydrophobicContact CG-CG2 3.91Å; Q596-T598 PolarHBondContact O-OG1 3.4Å
599	T	69.9	Low	71	Confident	20 Å²	20	47.7 Å²	47.7	12%	0.123	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	153.1	-172.5	65.2	0	0	0	0	111.7	Q589 I590 T601 D604 M605	Q589-T599 CarbonylContact C-O 3.42Å; I590-T599 PolarHBondContact N-O 3.23Å; I590-T599 PolarHBondContact O-N 2.92Å; T599-T601 PolarHBondContact OG1-O 3.33Å; T599-T601 VanDerWaalsContact OG1-O 3.07Å; T599-D604 VanDerWaalsContact CB-CB 3.45Å; T599-D604 HydrophobicContact CG2-CB 3.72Å; T599-M605 HydrophobicContact CG2-CE 3.92Å; T599-M605 WeakPolarHBondContact OG1-CE 3.42Å; T599-M605 PolarHBondContact OG1-N 3.45Å
600	P	65.3	Low	70.9	Confident	63 Å²	63	46.8 Å²	46.8	41%	0.409	27%	0.267	S	S	.	.	S	Bend	trans	-79.9	-23.2	179.7	31.2	-34	0	0	0	113.5	L588 D604	L588-P600 CarbonylContact O-C 3.28Å; P600-D604 WeakPolarHBondContact CD-OD2 3.38Å
601	T	71.3	Confident	70.4	Confident	50 Å²	50	55.2 Å²	55.2	31%	0.307	30%	0.3	S	S	.	.	S	Bend	trans	-123.6	164	179.3	81.6	0	0	0	0	113.9	T599 A603 D604 M605	T599-T601 PolarHBondContact OG1-O 3.33Å; T599-T601 VanDerWaalsContact OG1-O 3.07Å; T601-A603 VanDerWaalsContact C-N 3.34Å; T601-A603 PolarHBondContact OG1-N 2.78Å; T601-D604 WeakPolarHBondContact CB-OD2 3.34Å; T601-D604 WeakPolarHBondContact CG2-OD2 3.39Å; T601-D604 PolarHBondContact N-OD2 3Å; T601-D604 VanDerWaalsContact N-OD2 3.09Å; T601-D604 PolarHBondContact OG1-N 3.32Å; T601-D604 VanDerWaalsContact OG1-N 3.13Å; T601-D604 PolarHBondContact OG1-OD2 3.06Å; T601-M605 PolarHBondContact O-N 3.3Å
602	F	69.3	Low	70.1	Confident	13 Å²	13	56.7 Å²	56.7	6%	0.057	31%	0.313	C	S	.	.	H	α-helix	trans	-68.2	-31.5	170.8	-74.6	-85.7	0	0	0	112.9	E529 F530 L545 L553 L588 I590 M605 K606 L637	E529-F602 WeakPolarHBondContact OE2-CB 3.46Å; E529-F602 VanDerWaalsContact OE2-CD2 3.31Å; E529-F602 WeakPolarHBondContact OE2-CD2 3.46Å; E529-F602 VanDerWaalsContact OE2-CG 3.23Å; E529-F602 WeakPolarHBondContact OE2-CG 3.32Å; F530-F602 AromaticContact CE2-CD1 3.63Å; F530-F602 HydrophobicContact CE2-CD1 3.63Å; F530-F602 HydrophobicContact CE2-CE1 4.08Å; F530-F602 AromaticContact CZ-CD1 3.84Å; F530-F602 HydrophobicContact CZ-CD1 3.84Å; L545-F602 HydrophobicContact CD1-CE1 4.35Å; L553-F602 HydrophobicContact CD1-CE1 4.46Å; L553-F602 HydrophobicContact CD1-CE2 4.48Å; L553-F602 HydrophobicContact CD1-CZ 3.74Å; L553-F602 HydrophobicContact CD2-CE1 3.79Å; L553-F602 HydrophobicContact CD2-CZ 3.84Å; L553-F602 HydrophobicContact CG-CZ 4.41Å; L588-F602 HydrophobicContact CD1-CE2 3.9Å; I590-F602 HydrophobicContact CD1-CB 4.11Å; I590-F602 HydrophobicContact CD1-CD1 3.56Å; I590-F602 HydrophobicContact CD1-CD2 3.57Å; I590-F602 HydrophobicContact CD1-CE1 3.84Å; I590-F602 HydrophobicContact CD1-CE2 3.84Å; I590-F602 HydrophobicContact CD1-CG 3.43Å; I590-F602 VanDerWaalsContact CD1-CG 3.43Å; I590-F602 HydrophobicContact CD1-CZ 3.98Å; F602-M605 PolarHBondContact O-N 2.91Å; F602-K606 WeakPolarHBondContact O-CB 3.24Å; F602-K606 PolarHBondContact O-N 3.16Å; F602-L637 HydrophobicContact CE2-CD2 3.98Å; F602-L637 HydrophobicContact CZ-CD2 3.88Å
603	A	69.7	Low	69.8	Low	66 Å²	66	58.5 Å²	58.5	55%	0.545	32%	0.321	S	S	.	.	H	α-helix	trans	-64	-46	175.9	0	0	0	0	0	110.6	T601 M605 K606 M607	T601-A603 VanDerWaalsContact C-N 3.34Å; T601-A603 PolarHBondContact OG1-N 2.78Å; A603-M605 PolarHBondContact O-N 3.13Å; A603-K606 WeakPolarHBondContact O-CB 3.13Å; A603-K606 PolarHBondContact O-N 3.23Å; A603-M607 WeakPolarHBondContact O-CB 3.29Å; A603-M607 PolarHBondContact O-N 3.05Å
604	D	71.1	Confident	69.2	Low	63 Å²	63	64.5 Å²	64.5	34%	0.337	34%	0.337	S	S	.	.	H	α-helix	trans	-62.3	-41.6	175.4	-52.7	-42.7	0	0	0	111.8	T599 P600 T601 K606 M607 H608	T599-D604 VanDerWaalsContact CB-CB 3.45Å; T599-D604 HydrophobicContact CG2-CB 3.72Å; P600-D604 WeakPolarHBondContact CD-OD2 3.38Å; T601-D604 WeakPolarHBondContact CB-OD2 3.34Å; T601-D604 WeakPolarHBondContact CG2-OD2 3.39Å; T601-D604 PolarHBondContact N-OD2 3Å; T601-D604 VanDerWaalsContact N-OD2 3.09Å; T601-D604 PolarHBondContact OG1-N 3.32Å; T601-D604 VanDerWaalsContact OG1-N 3.13Å; T601-D604 PolarHBondContact OG1-OD2 3.06Å; D604-K606 VanDerWaalsContact C-N 3.35Å; D604-M607 PolarHBondContact O-N 3.39Å; D604-H608 VanDerWaalsContact O-CB 3.25Å; D604-H608 WeakPolarHBondContact O-CB 3.24Å; D604-H608 PolarHBondContact O-N 2.93Å
605	M	74.8	Confident	68.9	Low	0 Å²	0	62.7 Å²	62.7	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-67.2	-36	177	-176.3	56.7	40.8	0	0	111.9	F530 V551 I590 C592 T599 T601 F602 A603 H608 L609	F530-M605 HydrophobicContact CZ-CB 4.39Å; F530-M605 HydrophobicContact CZ-CG 4.16Å; V551-M605 HydrophobicContact CG1-CG 4.3Å; V551-M605 HydrophobicContact CG2-CG 3.76Å; V551-M605 HydrophobicContact CG2-SD 4.37Å; I590-M605 HydrophobicContact CB-CB 4.46Å; I590-M605 HydrophobicContact CB-CE 4.42Å; I590-M605 HydrophobicContact CG2-CB 3.85Å; I590-M605 HydrophobicContact CG2-CE 4.02Å; I590-M605 HydrophobicContact CG2-CG 3.68Å; I590-M605 HydrophobicContact CG2-SD 4.4Å; C592-M605 HydrophobicContact CB-CE 4.17Å; C592-M605 HydrophobicContact CB-SD 3.87Å; T599-M605 HydrophobicContact CG2-CE 3.92Å; T599-M605 WeakPolarHBondContact OG1-CE 3.42Å; T599-M605 PolarHBondContact OG1-N 3.45Å; T601-M605 PolarHBondContact O-N 3.3Å; F602-M605 PolarHBondContact O-N 2.91Å; A603-M605 PolarHBondContact O-N 3.13Å; M605-H608 PolarHBondContact O-N 3.48Å; M605-L609 HydrophobicContact CG-CD1 4.28Å; M605-L609 WeakPolarHBondContact O-CB 3.4Å; M605-L609 VanDerWaalsContact O-CG 3.28Å; M605-L609 WeakPolarHBondContact O-CG 3.17Å; M605-L609 PolarHBondContact O-N 2.89Å; M605-L609 HydrophobicContact SD-CG 4.38Å
606	K	69.7	Low	67.6	Low	55 Å²	55	68.4 Å²	68.4	24%	0.239	35%	0.354	C	S	.	.	H	α-helix	trans	-64.2	-46.6	172.4	-176.2	177.7	177.6	177.2	0	110.6	F530 F602 A603 D604 H608 L609 L610	F530-K606 HydrophobicContact CD1-CB 4.24Å; F530-K606 HydrophobicContact CD1-CG 4.42Å; F530-K606 HydrophobicContact CE1-CB 3.85Å; F602-K606 WeakPolarHBondContact O-CB 3.24Å; F602-K606 PolarHBondContact O-N 3.16Å; A603-K606 WeakPolarHBondContact O-CB 3.13Å; A603-K606 PolarHBondContact O-N 3.23Å; D604-K606 VanDerWaalsContact C-N 3.35Å; K606-H608 VanDerWaalsContact C-N 3.32Å; K606-H608 PolarHBondContact O-N 2.9Å; K606-L609 PolarHBondContact O-N 3.09Å; K606-L610 HydrophobicContact CG-CD1 3.98Å; K606-L610 WeakPolarHBondContact O-CD1 3.44Å; K606-L610 WeakPolarHBondContact O-CG 3.17Å; K606-L610 PolarHBondContact O-N 2.95Å
607	M	66.2	Low	66.8	Low	96 Å²	96	61.8 Å²	61.8	47%	0.473	32%	0.324	S	S	.	.	H	α-helix	trans	-62.2	-39.7	177.2	-155	67.8	78	0	0	111.9	A603 D604 L610 Y611	A603-M607 WeakPolarHBondContact O-CB 3.29Å; A603-M607 PolarHBondContact O-N 3.05Å; D604-M607 PolarHBondContact O-N 3.39Å; M607-L610 PolarHBondContact O-N 3.29Å; M607-Y611 HydrophobicContact CG-CD2 3.69Å; M607-Y611 HydrophobicContact CG-CE2 3.56Å; M607-Y611 PolarHBondContact O-N 3.46Å; M607-Y611 HydrophobicContact SD-CD2 4.03Å; M607-Y611 HydrophobicContact SD-CE2 3.38Å; M607-Y611 WeakPolarHBondContact SD-CE2 3.24Å
608	H	75.4	Confident	65.4	Low	21 Å²	21	68 Å²	68	10%	0.097	35%	0.347	C	S	.	.	H	α-helix	trans	-65.1	-43.2	173.7	168.2	65.8	0	0	0	112.8	C592 C595 A597 D604 M605 K606 L610 V612 H613	C592-H608 WeakPolarHBondContact CB-NE2 3.29Å; C592-H608 PolarHBondContact SG-NE2 3.15Å; C595-H608 PolarHBondContact SG-CE1 3.47Å; C595-H608 PolarHBondContact SG-NE2 3.15Å; A597-H608 WeakPolarHBondContact CB-CE1 3.38Å; D604-H608 VanDerWaalsContact O-CB 3.25Å; D604-H608 WeakPolarHBondContact O-CB 3.24Å; D604-H608 PolarHBondContact O-N 2.93Å; M605-H608 PolarHBondContact O-N 3.48Å; K606-H608 VanDerWaalsContact C-N 3.32Å; K606-H608 PolarHBondContact O-N 2.9Å; H608-L610 VanDerWaalsContact C-N 3.32Å; H608-L610 PolarHBondContact O-N 2.86Å; H608-V612 WeakPolarHBondContact ND1-CG2 3.28Å; H608-V612 WeakPolarHBondContact O-CA 3.49Å; H608-V612 VanDerWaalsContact O-CB 3.28Å; H608-V612 WeakPolarHBondContact O-CB 3.4Å; H608-V612 PolarHBondContact O-N 3.03Å; H608-H613 AromaticContact CE1-CD2 3.93Å; H608-H613 AromaticContact CE1-NE2 3.72Å; H608-H613 AromaticContact NE2-CD2 3.45Å; H608-H613 PolarHBondContact NE2-CD2 3.44Å; H608-H613 AromaticContact NE2-NE2 3.4Å; H608-H613 PolarHBondContact NE2-NE2 3.31Å
609	L	70.5	Confident	64.1	Low	1 Å²	1	70.4 Å²	70.4	1%	0.005	36%	0.356	C	S	.	.	H	α-helix	trans	-65.7	-34.9	176	-74.2	167.6	0	0	0	112.2	F530 V551 M605 K606 H613 E614 E615	F530-L609 HydrophobicContact CE1-CD1 4.13Å; V551-L609 HydrophobicContact CG2-CD1 3.86Å; M605-L609 HydrophobicContact CG-CD1 4.28Å; M605-L609 WeakPolarHBondContact O-CB 3.4Å; M605-L609 VanDerWaalsContact O-CG 3.28Å; M605-L609 WeakPolarHBondContact O-CG 3.17Å; M605-L609 PolarHBondContact O-N 2.89Å; M605-L609 HydrophobicContact SD-CG 4.38Å; K606-L609 PolarHBondContact O-N 3.09Å; L609-H613 CarbonylContact O-C 3.56Å; L609-H613 WeakPolarHBondContact O-CB 3.01Å; L609-H613 PolarHBondContact O-N 3.44Å; L609-E614 PolarHBondContact O-N 3.09Å; L609-E615 PolarHBondContact O-N 2.58Å; L609-E615 VanDerWaalsContact O-N 3.1Å
610	L	70.1	Confident	62.3	Low	41 Å²	41	80 Å²	80	22%	0.215	39%	0.39	C	S	.	.	H	α-helix	trans	-68.3	-57.9	174	-73.2	158.5	0	0	0	111.5	K606 M607 H608 E614 E615 I619	K606-L610 HydrophobicContact CG-CD1 3.98Å; K606-L610 WeakPolarHBondContact O-CD1 3.44Å; K606-L610 WeakPolarHBondContact O-CG 3.17Å; K606-L610 PolarHBondContact O-N 2.95Å; M607-L610 PolarHBondContact O-N 3.29Å; H608-L610 VanDerWaalsContact C-N 3.32Å; H608-L610 PolarHBondContact O-N 2.86Å; L610-E614 WeakPolarHBondContact O-CA 3.34Å; L610-E614 PolarHBondContact O-N 2.84Å; L610-E614 VanDerWaalsContact O-N 3.13Å; L610-E615 VanDerWaalsContact CD2-O 3.25Å; L610-E615 WeakPolarHBondContact CD2-O 3.5Å; L610-I619 HydrophobicContact CD1-CD1 4.04Å
611	Y	66.1	Low	61	Low	177 Å²	177	80.6 Å²	80.6	69%	0.694	40%	0.4	S	S	*	.	H	α-helix	trans	-86.5	-20.7	-171	-64.1	-42.1	0	0	0	116.2	M607	M607-Y611 HydrophobicContact CG-CD2 3.69Å; M607-Y611 HydrophobicContact CG-CE2 3.56Å; M607-Y611 PolarHBondContact O-N 3.46Å; M607-Y611 HydrophobicContact SD-CD2 4.03Å; M607-Y611 HydrophobicContact SD-CE2 3.38Å; M607-Y611 WeakPolarHBondContact SD-CE2 3.24Å
612	V	68.4	Low	59.3	Low	89 Å²	89	84.9 Å²	84.9	54%	0.539	42%	0.417	S	S	.	.	H	α-helix	trans	-109.4	-13.7	-176.9	-169.8	0	0	0	0	112.1	H608	H608-V612 WeakPolarHBondContact ND1-CG2 3.28Å; H608-V612 WeakPolarHBondContact O-CA 3.49Å; H608-V612 VanDerWaalsContact O-CB 3.28Å; H608-V612 WeakPolarHBondContact O-CB 3.4Å; H608-V612 PolarHBondContact O-N 3.03Å
613	H	71.1	Confident	57.6	Low	46 Å²	46	91.3 Å²	91.3	21%	0.213	45%	0.452	C	S	.	.	H	α-helix	trans	-133.9	6.4	-178.5	-67.2	-39.7	0	0	0	114.2	R594 C595 H608 L609 E615	R594-H613 WeakPolarHBondContact CB-NE2 3.18Å; R594-H613 VanDerWaalsContact CD-CG 3.46Å; C595-H613 PolarHBondContact SG-NE2 2.97Å; H608-H613 AromaticContact CE1-CD2 3.93Å; H608-H613 AromaticContact CE1-NE2 3.72Å; H608-H613 AromaticContact NE2-CD2 3.45Å; H608-H613 PolarHBondContact NE2-CD2 3.44Å; H608-H613 AromaticContact NE2-NE2 3.4Å; H608-H613 PolarHBondContact NE2-NE2 3.31Å; L609-H613 CarbonylContact O-C 3.56Å; L609-H613 WeakPolarHBondContact O-CB 3.01Å; L609-H613 PolarHBondContact O-N 3.44Å; H613-E615 HydrophobicContact CB-CG 4.3Å; H613-E615 WeakPolarHBondContact O-CG 3.26Å; H613-E615 PolarHBondContact O-N 3.02Å
614	E	57.4	Low	56.2	Low	174 Å²	174	91.5 Å²	91.5	81%	0.813	46%	0.46	S	S	*	.			trans	49.8	32.4	173.1	-62.3	-179.8	-178.2	0	0	113.4	L609 L610 E616	L609-E614 PolarHBondContact O-N 3.09Å; L610-E614 WeakPolarHBondContact O-CA 3.34Å; L610-E614 PolarHBondContact O-N 2.84Å; L610-E614 VanDerWaalsContact O-N 3.13Å; E614-E616 PolarHBondContact O-N 2.89Å
615	E	57.2	Low	54.5	Low	50 Å²	50	94.1 Å²	94.1	23%	0.234	48%	0.478	C	S	.	.			trans	-88.4	110.1	179.9	-65.2	-139.5	93.5	0	0	111.2	R594 L609 L610 H613 V617	R594-E615 IonicContact CZ-OE1 3.98Å; R594-E615 IonicContact CZ-OE2 3.71Å; R594-E615 IonicContact NE-OE1 2.75Å; R594-E615 IonicContact NE-OE2 2.68Å; R594-E615 PolarHBondContact NE-OE2 2.79Å; R594-E615 IonicContact NH1-OE1 3.19Å; R594-E615 IonicContact NH1-OE2 3.99Å; R594-E615 IonicContact NH2-OE1 3.05Å; R594-E615 PolarHBondContact NH2-OE1 3.02Å; R594-E615 IonicContact NH2-OE2 3.99Å; R594-E615 PolarHBondContact NH2-OE2 3.37Å; L609-E615 PolarHBondContact O-N 2.58Å; L609-E615 VanDerWaalsContact O-N 3.1Å; L610-E615 VanDerWaalsContact CD2-O 3.25Å; L610-E615 WeakPolarHBondContact CD2-O 3.5Å; H613-E615 HydrophobicContact CB-CG 4.3Å; H613-E615 WeakPolarHBondContact O-CG 3.26Å; H613-E615 PolarHBondContact O-N 3.02Å; E615-V617 HydrophobicContact CB-CG2 4.29Å; E615-V617 PolarHBondContact O-N 2.83Å
616	E	46	Very low	52.5	Low	165 Å²	165	98.4 Å²	98.4	77%	0.771	51%	0.514	S	S	*	.			trans	-64.8	75.6	164	-77.1	-155.9	118	0	0	112	E614 H618	E614-E616 PolarHBondContact O-N 2.89Å; E616-H618 PolarHBondContact O-N 3.45Å; E616-H618 PolarHBondContact O-ND1 3.4Å
617	V	52.8	Low	51.4	Low	15 Å²	15	105.2 Å²	105.2	9%	0.091	55%	0.546	C	S	.	.			trans	-66.1	83.9	161.9	-177.2	0	0	0	0	107.3	F530 E615 I619	F530-V617 HydrophobicContact CB-CG1 3.83Å; F530-V617 HydrophobicContact CD1-CG1 4.15Å; F530-V617 WeakPolarHBondContact O-CG1 3.48Å; E615-V617 HydrophobicContact CB-CG2 4.29Å; E615-V617 PolarHBondContact O-N 2.83Å; V617-I619 VanDerWaalsContact O-CG1 3.28Å; V617-I619 WeakPolarHBondContact O-CG1 3.41Å; V617-I619 PolarHBondContact O-N 3.29Å
618	H	41.1	Very low	49.9	Very low	164 Å²	164	105.9 Å²	105.9	76%	0.759	56%	0.559	S	S	*	*			trans	-35	104.8	-169.1	-79.3	26.1	0	0	0	112.6	E616 R620	E616-H618 PolarHBondContact O-N 3.45Å; E616-H618 PolarHBondContact O-ND1 3.4Å; H618-R620 PolarHBondContact O-N 3.01Å
619	I	42.4	Very low	47.9	Very low	109 Å²	109	109.5 Å²	109.5	56%	0.559	58%	0.583	S	S	*	*			trans	-86.3	108	-177.5	-52.5	-178.2	0	0	0	108	L610 V617	L610-I619 HydrophobicContact CD1-CD1 4.04Å; V617-I619 VanDerWaalsContact O-CG1 3.28Å; V617-I619 WeakPolarHBondContact O-CG1 3.41Å; V617-I619 PolarHBondContact O-N 3.29Å
620	R	33.2	Very low	47.1	Very low	222 Å²	222	112.1 Å²	112.1	84%	0.838	61%	0.61	S	S	*	*			trans	-87.3	117.7	153.3	-156	176.5	-165.2	-155	0.2	108	H618 H622	H618-R620 PolarHBondContact O-N 3.01Å; R620-H622 PolarHBondContact O-N 3.09Å
621	A	37.9	Very low	45.8	Very low	75 Å²	75	119.7 Å²	119.7	62%	0.62	64%	0.636	S	S	*	*			trans	-59.9	119.7	162	0	0	0	0	0	107.3	D623	A621-D623 VanDerWaalsContact C-N 3.29Å; A621-D623 PolarHBondContact O-N 2.89Å; A621-D623 VanDerWaalsContact O-N 3.07Å
622	H	35	Very low	44.8	Very low	140 Å²	140	118.1 Å²	118.1	65%	0.648	64%	0.635	S	S	*	*			trans	-88.5	70.7	-175	-162.7	-50.7	0	0	0	110.7	R620 G624 V625	R620-H622 PolarHBondContact O-N 3.09Å; H622-G624 PolarHBondContact O-N 3.02Å; H622-V625 PolarHBondContact CE1-O 3.33Å
623	D	32.5	Very low	43.9	Very low	148 Å²	148	117.2 Å²	117.2	79%	0.791	63%	0.63	S	S	*	*			trans	-52.4	132.2	162.4	-77.8	-49.7	0	0	0	110.1	A621	A621-D623 VanDerWaalsContact C-N 3.29Å; A621-D623 PolarHBondContact O-N 2.89Å; A621-D623 VanDerWaalsContact O-N 3.07Å
624	G	42.1	Very low	42.9	Very low	71 Å²	71	118.3 Å²	118.3	73%	0.732	64%	0.635	S	S	*	*	S	Bend	trans	28.1	95.4	170.7	0	0	0	0	0	119	H622	H622-G624 PolarHBondContact O-N 3.02Å
625	V	34.4	Very low	42.4	Very low	118 Å²	118	113 Å²	113	72%	0.715	61%	0.612	S	S	*	*	S	Bend		171.4	140.9	121.7	150.4	0	0	0	0	111.3	H622	H622-V625 PolarHBondContact CE1-O 3.33Å
626	A	33.8	Very low	42.4	Very low	90 Å²	90	113 Å²	113	74%	0.744	61%	0.612	S	S	*	*			trans	62.1	84.6	168.5	0	0	0	0	0	117.1	C628	A626-C628 PolarHBondContact O-N 3.23Å
627	Q	46.7	Very low	43.1	Very low	197 Å²	197	105.6 Å²	105.6	92%	0.921	58%	0.577	S	S	*	*			trans	-52.2	132.9	161.4	-67.8	162.6	-42.5	0	0	111.3
628	C	33.6	Very low	43.4	Very low	111 Å²	111	105.5 Å²	105.5	75%	0.75	58%	0.577	S	S	*	*			trans	-106.2	123.2	162.8	-151	0	0	0	0	108.1	A626 G630	A626-C628 PolarHBondContact O-N 3.23Å; C628-G630 PolarHBondContact O-N 3.46Å
629	V	33.6	Very low	44.2	Very low	96 Å²	96	103.5 Å²	103.5	58%	0.582	57%	0.566	S	S	*	*			trans	-65.3	123.3	-163.3	178.9	0	0	0	0	112.1
630	G	53.7	Low	44.9	Very low	57 Å²	57	102.4 Å²	102.4	59%	0.588	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.1	162.7	178	0	0	0	0	0	113.6	C628 E632	C628-G630 PolarHBondContact O-N 3.46Å; G630-E632 PolarHBondContact O-N 2.75Å
631	R	42.2	Very low	46.2	Very low	199 Å²	199	91.8 Å²	91.8	75%	0.751	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.8	-35.9	-173.7	-59.8	-159.7	-68.3	-133.4	5.3	116.8	N635	R631-N635 VanDerWaalsContact O-CB 3.27Å; R631-N635 WeakPolarHBondContact O-CB 3.3Å; R631-N635 PolarHBondContact O-N 3.02Å; R631-N635 PolarHBondContact O-ND2 3.19Å
632	E	45	Very low	46.8	Very low	144 Å²	144	90.7 Å²	90.7	67%	0.673	51%	0.509	S	S	*	.	H	α-helix	trans	-68.9	-50.3	175.1	-79.4	-153.6	157.1	0	0	112.2	G630 E634 N635 E636	G630-E632 PolarHBondContact O-N 2.75Å; E632-E634 PolarHBondContact O-N 3.21Å; E632-N635 PolarHBondContact O-N 2.94Å; E632-E636 WeakPolarHBondContact O-CG 3.4Å; E632-E636 PolarHBondContact O-N 3.5Å
633	V	49.6	Very low	47.5	Very low	71 Å²	71	90.8 Å²	90.8	43%	0.43	51%	0.51	S	S	.	.	H	α-helix	trans	-61.2	-38.8	179.3	177.6	0	0	0	0	110.7	L637	V633-L637 WeakPolarHBondContact O-CB 3.49Å; V633-L637 PolarHBondContact O-N 2.91Å
634	E	50.2	Low	47.9	Very low	68 Å²	68	86.8 Å²	86.8	32%	0.318	48%	0.484	S	S	.	.	H	α-helix	trans	-63.9	-51.8	175.9	-169.7	174.1	-158.1	0	0	111.7	L588 E632 E636 L637 V638	L588-E634 HydrophobicContact CD1-CG 3.59Å; L588-E634 HydrophobicContact CG-CG 4.22Å; E632-E634 PolarHBondContact O-N 3.21Å; E634-E636 VanDerWaalsContact C-N 3.34Å; E634-E636 PolarHBondContact O-N 2.86Å; E634-L637 CarbonylContact O-C 3.58Å; E634-L637 WeakPolarHBondContact O-CA 3.44Å; E634-L637 VanDerWaalsContact O-CB 3.31Å; E634-L637 WeakPolarHBondContact O-CB 3.3Å; E634-L637 PolarHBondContact O-N 3.31Å; E634-V638 WeakPolarHBondContact O-CG2 3.42Å; E634-V638 PolarHBondContact O-N 2.81Å
635	N	48.4	Very low	48.4	Very low	63 Å²	63	85.5 Å²	85.5	34%	0.337	46%	0.457	S	S	.	.	H	α-helix	trans	-62.6	-36.8	176.7	-86.4	-69.2	0	0	0	113	R631 E632 L637 V638 K639	R631-N635 VanDerWaalsContact O-CB 3.27Å; R631-N635 WeakPolarHBondContact O-CB 3.3Å; R631-N635 PolarHBondContact O-N 3.02Å; R631-N635 PolarHBondContact O-ND2 3.19Å; E632-N635 PolarHBondContact O-N 2.94Å; N635-L637 VanDerWaalsContact C-N 3.32Å; N635-V638 PolarHBondContact O-N 3.02Å; N635-K639 WeakPolarHBondContact O-CB 3.36Å; N635-K639 VanDerWaalsContact O-CD 3.3Å; N635-K639 WeakPolarHBondContact O-CD 3.2Å; N635-K639 WeakPolarHBondContact O-CG 3.37Å; N635-K639 PolarHBondContact O-N 3.37Å
636	E	57.1	Low	48.9	Very low	51 Å²	51	89.9 Å²	89.9	24%	0.238	46%	0.46	C	S	.	.	H	α-helix	trans	-69.3	-30.4	172.4	-65.9	-67.9	96	0	0	111.8	R524 E632 E634 K639 H640	R524-E636 IonicContact CZ-OE2 2.83Å; R524-E636 IonicContact NH1-OE2 3.77Å; R524-E636 PolarHBondContact NH1-OE2 2.99Å; R524-E636 IonicContact NH2-OE2 2.73Å; R524-E636 PolarHBondContact NH2-OE2 3.12Å; E632-E636 WeakPolarHBondContact O-CG 3.4Å; E632-E636 PolarHBondContact O-N 3.5Å; E634-E636 VanDerWaalsContact C-N 3.34Å; E634-E636 PolarHBondContact O-N 2.86Å; E636-K639 WeakPolarHBondContact OE1-CD 3.48Å; E636-K639 IonicContact OE1-NZ 3.61Å; E636-K639 PolarHBondContact OE1-NZ 2.97Å; E636-H640 VanDerWaalsContact O-CB 3.27Å; E636-H640 WeakPolarHBondContact O-CB 3.22Å; E636-H640 PolarHBondContact O-CD2 3.43Å; E636-H640 PolarHBondContact O-N 3.29Å
637	L	60.7	Low	48.9	Very low	8 Å²	8	91.8 Å²	91.8	4%	0.042	45%	0.454	C	S	.	.	H	α-helix	trans	-68.4	-43.9	170.6	-175.8	62.8	0	0	0	111.6	L526 Y541 F542 L553 L588 F602 V633 E634 N635 H640 A641	L526-L637 HydrophobicContact CD1-CD1 4.24Å; Y541-L637 HydrophobicContact CD1-CD1 4.45Å; Y541-L637 HydrophobicContact CE1-CD1 3.96Å; Y541-L637 HydrophobicContact CE1-CD2 4.29Å; F542-L637 HydrophobicContact CE1-CD1 4.27Å; F542-L637 HydrophobicContact CZ-CD1 3.78Å; L553-L637 HydrophobicContact CD1-CD2 4.13Å; L588-L637 HydrophobicContact CD1-CD2 4.28Å; F602-L637 HydrophobicContact CE2-CD2 3.98Å; F602-L637 HydrophobicContact CZ-CD2 3.88Å; V633-L637 WeakPolarHBondContact O-CB 3.49Å; V633-L637 PolarHBondContact O-N 2.91Å; E634-L637 CarbonylContact O-C 3.58Å; E634-L637 WeakPolarHBondContact O-CA 3.44Å; E634-L637 VanDerWaalsContact O-CB 3.31Å; E634-L637 WeakPolarHBondContact O-CB 3.3Å; E634-L637 PolarHBondContact O-N 3.31Å; N635-L637 VanDerWaalsContact C-N 3.32Å; L637-H640 PolarHBondContact O-N 3.36Å; L637-A641 WeakPolarHBondContact O-CB 3.33Å; L637-A641 PolarHBondContact O-N 2.9Å
638	V	58.7	Low	48.4	Very low	13 Å²	13	87.2 Å²	87.2	8%	0.079	44%	0.436	C	S	.	.	H	α-helix	trans	-54.8	-54.2	171.6	176.3	0	0	0	0	110.3	V586 L588 E634 N635 H640 A641 A642	V586-V638 HydrophobicContact CB-CG1 4.1Å; V586-V638 HydrophobicContact CG1-CG1 3.73Å; L588-V638 HydrophobicContact CD1-CG2 4.36Å; L588-V638 HydrophobicContact CD2-CB 4.34Å; L588-V638 HydrophobicContact CD2-CG2 3.43Å; L588-V638 VanDerWaalsContact CD2-CG2 3.43Å; L588-V638 HydrophobicContact CG-CG2 3.65Å; E634-V638 WeakPolarHBondContact O-CG2 3.42Å; E634-V638 PolarHBondContact O-N 2.81Å; N635-V638 PolarHBondContact O-N 3.02Å; V638-H640 VanDerWaalsContact C-N 3.35Å; V638-H640 PolarHBondContact O-N 2.81Å; V638-A641 WeakPolarHBondContact O-CB 3.47Å; V638-A641 PolarHBondContact O-N 3.38Å; V638-A642 WeakPolarHBondContact O-CB 3.28Å; V638-A642 PolarHBondContact O-N 3Å
639	K	57.6	Low	48.5	Very low	123 Å²	123	86.6 Å²	86.6	54%	0.535	43%	0.425	S	S	.	.	H	α-helix	trans	-61.8	-39.9	-178.8	-67.2	161.4	-158.8	170.1	0	112	N635 E636	N635-K639 WeakPolarHBondContact O-CB 3.36Å; N635-K639 VanDerWaalsContact O-CD 3.3Å; N635-K639 WeakPolarHBondContact O-CD 3.2Å; N635-K639 WeakPolarHBondContact O-CG 3.37Å; N635-K639 PolarHBondContact O-N 3.37Å; E636-K639 WeakPolarHBondContact OE1-CD 3.48Å; E636-K639 IonicContact OE1-NZ 3.61Å; E636-K639 PolarHBondContact OE1-NZ 2.97Å
640	H	57.4	Low	48.7	Very low	85 Å²	85	89.8 Å²	89.8	39%	0.394	43%	0.433	S	S	.	.	H	α-helix	trans	-73.4	-34.4	175.5	-77.2	-40.8	0	0	0	113.2	E636 L637 V638 Y644	E636-H640 VanDerWaalsContact O-CB 3.27Å; E636-H640 WeakPolarHBondContact O-CB 3.22Å; E636-H640 PolarHBondContact O-CD2 3.43Å; E636-H640 PolarHBondContact O-N 3.29Å; L637-H640 PolarHBondContact O-N 3.36Å; V638-H640 VanDerWaalsContact C-N 3.35Å; V638-H640 PolarHBondContact O-N 2.81Å; H640-Y644 WeakPolarHBondContact O-CD2 3.26Å
641	A	60.1	Low	48	Very low	0 Å²	0	94.9 Å²	94.9	0%	0	44%	0.439	C	S	.	.	H	α-helix	trans	-62.9	-52.2	175.2	0	0	0	0	0	111.5	F542 L637 V638 H643 Y644 W645	F542-A641 HydrophobicContact CE2-CB 4.35Å; F542-A641 HydrophobicContact CZ-CB 3.95Å; L637-A641 WeakPolarHBondContact O-CB 3.33Å; L637-A641 PolarHBondContact O-N 2.9Å; V638-A641 WeakPolarHBondContact O-CB 3.47Å; V638-A641 PolarHBondContact O-N 3.38Å; A641-H643 PolarHBondContact O-N 2.77Å; A641-Y644 PolarHBondContact O-N 2.91Å; A641-W645 HydrophobicContact CB-CD2 4.26Å; A641-W645 HydrophobicContact CB-CH2 4.16Å; A641-W645 HydrophobicContact CB-CZ2 3.63Å; A641-W645 VanDerWaalsContact O-CG 3.25Å; A641-W645 PolarHBondContact O-N 3.38Å; A641-W645 VanDerWaalsContact O-N 3.14Å
642	A	51.3	Low	47.8	Very low	51 Å²	51	93.3 Å²	93.3	42%	0.421	43%	0.433	S	S	.	.	H	α-helix	trans	-49.9	-36.7	-176.6	0	0	0	0	0	113.7	V638 R646	V638-A642 WeakPolarHBondContact O-CB 3.28Å; V638-A642 PolarHBondContact O-N 3Å; A642-R646 PolarHBondContact O-N 3.08Å
643	H	48	Very low	47.8	Very low	143 Å²	143	92.5 Å²	92.5	66%	0.662	43%	0.433	S	S	*	.	H	α-helix	trans	-65	-47.2	174.8	177.6	-80.1	0	0	0	113.2	A641 W645	A641-H643 PolarHBondContact O-N 2.77Å; H643-W645 PolarHBondContact O-N 2.94Å
644	Y	42.1	Very low	47.8	Very low	64 Å²	64	92.7 Å²	92.7	25%	0.251	43%	0.432	S	S	.	.	H	α-helix	trans	-69.9	-21.5	180	-79	-80	0	0	0	112.8	Y537 V538 H640 A641 Q647	Y537-Y644 PolarHBondContact OH-OH 3.47Å; V538-Y644 HydrophobicContact CB-CE2 3.89Å; V538-Y644 HydrophobicContact CG1-CD2 3.92Å; V538-Y644 HydrophobicContact CG1-CE2 3.73Å; V538-Y644 HydrophobicContact CG2-CE2 4.47Å; H640-Y644 WeakPolarHBondContact O-CD2 3.26Å; A641-Y644 PolarHBondContact O-N 2.91Å; Y644-Q647 WeakPolarHBondContact O-CB 3.43Å; Y644-Q647 PolarHBondContact O-N 2.95Å
645	W	53.4	Low	48.1	Very low	44 Å²	44	92.2 Å²	92.2	17%	0.167	43%	0.433	C	S	.	.	H	α-helix	trans	-94.5	-25.2	-166.5	-66.3	14.7	0	0	0	114.6	F542 L553 T554 V555 A641 H643 Q647 L648 N649	F542-W645 HydrophobicContact CE1-CZ2 4.48Å; F542-W645 HydrophobicContact CZ-CZ2 4.36Å; L553-W645 VanDerWaalsContact C-CH2 3.46Å; L553-W645 HydrophobicContact CB-CH2 3.61Å; L553-W645 HydrophobicContact CB-CZ2 3.63Å; L553-W645 VanDerWaalsContact O-CH2 3.3Å; L553-W645 WeakPolarHBondContact O-CH2 3.48Å; T554-W645 VanDerWaalsContact CA-CZ3 3.41Å; V555-W645 HydrophobicContact CB-CE3 4.49Å; V555-W645 HydrophobicContact CB-CH2 4.37Å; V555-W645 HydrophobicContact CB-CZ3 3.66Å; V555-W645 HydrophobicContact CG2-CH2 3.8Å; V555-W645 HydrophobicContact CG2-CZ3 3.58Å; V555-W645 VanDerWaalsContact N-CZ3 3.34Å; A641-W645 HydrophobicContact CB-CD2 4.26Å; A641-W645 HydrophobicContact CB-CH2 4.16Å; A641-W645 HydrophobicContact CB-CZ2 3.63Å; A641-W645 VanDerWaalsContact O-CG 3.25Å; A641-W645 PolarHBondContact O-N 3.38Å; A641-W645 VanDerWaalsContact O-N 3.14Å; H643-W645 PolarHBondContact O-N 2.94Å; W645-Q647 PolarHBondContact O-N 3.46Å; W645-L648 PolarHBondContact O-N 2.93Å; W645-N649 PolarHBondContact O-N 2.86Å
646	R	43.1	Very low	48.9	Very low	209 Å²	209	93.8 Å²	93.8	79%	0.789	44%	0.437	S	S	*	.	H	α-helix	trans	-52.6	-34.1	161.5	-70.6	-178.1	179.3	163.3	2.9	111.1	A642	A642-R646 PolarHBondContact O-N 3.08Å
647	Q	34	Very low	49.5	Very low	131 Å²	131	91.4 Å²	91.4	61%	0.612	43%	0.426	S	S	*	.	H	α-helix	trans	-80.3	-7.9	177	-169.7	168.7	62.7	0	0	114.6	Y644 W645	Y644-Q647 WeakPolarHBondContact O-CB 3.43Å; Y644-Q647 PolarHBondContact O-N 2.95Å; W645-Q647 PolarHBondContact O-N 3.46Å
648	L	37.4	Very low	49.6	Very low	101 Å²	101	94.9 Å²	94.9	53%	0.529	46%	0.464	S	S	.	.	H	α-helix	trans	-104.6	-38.2	177.6	-75.9	167.8	0	0	0	112.9	W645 E650 K651	W645-L648 PolarHBondContact O-N 2.93Å; L648-E650 PolarHBondContact O-N 3.37Å; L648-K651 PolarHBondContact O-N 3.14Å; L648-K651 VanDerWaalsContact O-N 3.09Å
649	N	34.2	Very low	49.8	Very low	98 Å²	98	98.4 Å²	98.4	52%	0.524	49%	0.489	S	S	.	.	H	α-helix	trans	-65	-27.5	177.4	-92.7	9	0	0	0	112.9	W645 K651 R652	W645-N649 PolarHBondContact O-N 2.86Å; N649-K651 PolarHBondContact O-N 3.5Å; N649-R652 PolarHBondContact O-N 2.94Å; N649-R652 VanDerWaalsContact OD1-CZ 3.3Å; N649-R652 PolarHBondContact OD1-NE 3.02Å; N649-R652 PolarHBondContact OD1-NH2 3.19Å
650	E	37.9	Very low	50.4	Low	163 Å²	163	95.3 Å²	95.3	76%	0.762	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	3.2	170.1	-71.8	-174.2	145.9	0	0	114.7	L648	L648-E650 PolarHBondContact O-N 3.37Å
651	K	39.9	Very low	50.5	Low	163 Å²	163	96.3 Å²	96.3	71%	0.709	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.9	17.3	178.5	-68.3	-175.4	179	171.3	0	114.9	L648 N649 N653	L648-K651 PolarHBondContact O-N 3.14Å; L648-K651 VanDerWaalsContact O-N 3.09Å; N649-K651 PolarHBondContact O-N 3.5Å; K651-N653 PolarHBondContact O-N 2.88Å
652	R	36.9	Very low	50.9	Low	167 Å²	167	101 Å²	101	63%	0.63	51%	0.513	S	S	*	.			trans	-77.4	75.3	162.5	-61	-168.9	-164.3	-168.7	6.6	109.5	N649	N649-R652 PolarHBondContact O-N 2.94Å; N649-R652 VanDerWaalsContact OD1-CZ 3.3Å; N649-R652 PolarHBondContact OD1-NE 3.02Å; N649-R652 PolarHBondContact OD1-NH2 3.19Å
653	N	45.3	Very low	51.7	Low	126 Å²	126	103.5 Å²	103.5	67%	0.674	52%	0.515	S	S	*	.			trans	-66.6	137.2	170.8	-67.1	-7.1	0	0	0	109.3	K651 V655	K651-N653 PolarHBondContact O-N 2.88Å; N653-V655 PolarHBondContact O-N 3.35Å
654	L	49.3	Very low	52.6	Low	75 Å²	75	98.3 Å²	98.3	39%	0.393	49%	0.491	S	S	.	.			trans	-61.7	134.2	166.5	-72.6	65.9	0	0	0	108	E663 F665	L654-E663 HydrophobicContact CB-CB 4.29Å; L654-E663 HydrophobicContact CD2-CB 4.03Å; L654-E663 WeakPolarHBondContact CD2-OE2 3.41Å; L654-F665 HydrophobicContact CD1-CD1 4.19Å; L654-F665 HydrophobicContact CD1-CE1 3.84Å; L654-F665 HydrophobicContact CD2-CD1 4.47Å; L654-F665 HydrophobicContact CD2-CE1 3.77Å; L654-F665 HydrophobicContact CD2-CE2 4.4Å; L654-F665 HydrophobicContact CD2-CZ 3.72Å; L654-F665 HydrophobicContact CG-CD1 4Å; L654-F665 HydrophobicContact CG-CE1 3.73Å; L654-F665 HydrophobicContact CG-CZ 4.16Å
655	V	57.9	Low	53.1	Low	58 Å²	58	103.6 Å²	103.6	35%	0.352	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	117	-178.2	-167.9	0	0	0	0	108.5	N653 F664 L670	N653-V655 PolarHBondContact O-N 3.35Å; V655-F664 PolarHBondContact N-O 3.49Å; V655-F664 PolarHBondContact O-N 3.08Å; V655-L670 HydrophobicContact CB-CD2 4.04Å; V655-L670 HydrophobicContact CG1-CD2 3.47Å; V655-L670 VanDerWaalsContact CG1-CD2 3.47Å
656	K	64.9	Low	53.1	Low	97 Å²	97	103.4 Å²	103.4	42%	0.422	52%	0.521	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	143.1	177.1	-65.7	-173.6	165.4	-80.6	0	111.3	D661 E662 E663	K656-D661 WeakPolarHBondContact CD-OD1 3.39Å; K656-D661 PolarHBondContact NZ-O 3.49Å; K656-E662 CarbonylContact C-O 3.27Å; K656-E662 VanDerWaalsContact CA-O 3.29Å; K656-E662 WeakPolarHBondContact CA-O 3.32Å; K656-E663 WeakPolarHBondContact CE-OE1 3.46Å; K656-E663 HydrophobicContact CG-CG 4.17Å; K656-E663 IonicContact NZ-OE1 3.94Å; K656-E663 PolarHBondContact NZ-OE1 3.25Å
657	C	69.2	Low	53.7	Low	0 Å²	0	100.4 Å²	100.4	0%	0	51%	0.514	C	S	.	.			trans	-72	126	162.3	-175.7	0	0	0	0	109.8	S659 C660 D661 E662 F664 L670 H673	C657-S659 PolarHBondContact O-N 3.25Å; C657-S659 VanDerWaalsContact O-N 3.1Å; C657-C660 WeakPolarHBondContact CB-SG 3.41Å; C657-C660 PolarHBondContact O-N 2.92Å; C657-C660 VanDerWaalsContact SG-SG 3.62Å; C657-D661 VanDerWaalsContact O-CA 3.31Å; C657-D661 WeakPolarHBondContact O-CA 3.4Å; C657-D661 PolarHBondContact O-N 3.19Å; C657-E662 PolarHBondContact N-O 3.09Å; C657-F664 HydrophobicContact CB-CE2 4.13Å; C657-L670 HydrophobicContact CB-CD1 3.54Å; C657-H673 PolarHBondContact SG-NE2 3.26Å
658	G	62.2	Low	54.8	Low	81 Å²	81	97 Å²	97	84%	0.835	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-6.3	-177.7	0	0	0	0	0	115.2
659	S	63.2	Low	56.1	Low	87 Å²	87	98.9 Å²	98.9	61%	0.608	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.9	-14.6	-175	-53.1	0	0	0	0	114	C657 H678	C657-S659 PolarHBondContact O-N 3.25Å; C657-S659 VanDerWaalsContact O-N 3.1Å; S659-H678 WeakPolarHBondContact CB-NE2 3.43Å
660	C	70.7	Confident	57.9	Low	58 Å²	58	94.7 Å²	94.7	39%	0.392	49%	0.486	S	S	.	.	T	Hydrogen-bonded Turn	trans	-147.5	2.6	-177.2	68.9	0	0	0	0	114.4	C657 E662 H673	C657-C660 WeakPolarHBondContact CB-SG 3.41Å; C657-C660 PolarHBondContact O-N 2.92Å; C657-C660 VanDerWaalsContact SG-SG 3.62Å; C660-E662 PolarHBondContact O-N 3.02Å; C660-H673 VanDerWaalsContact SG-CE1 3.5Å; C660-H673 PolarHBondContact SG-NE2 2.83Å
661	D	58.6	Low	59.2	Low	107 Å²	107	93 Å²	93	57%	0.572	48%	0.476	S	S	*	.			trans	60	1.4	-179.9	-92.1	-47.7	0	0	0	117.9	K656 C657 E663	K656-D661 WeakPolarHBondContact CD-OD1 3.39Å; K656-D661 PolarHBondContact NZ-O 3.49Å; C657-D661 VanDerWaalsContact O-CA 3.31Å; C657-D661 WeakPolarHBondContact O-CA 3.4Å; C657-D661 PolarHBondContact O-N 3.19Å; D661-E663 PolarHBondContact O-N 2.99Å
662	E	68.9	Low	60.6	Low	99 Å²	99	92.9 Å²	92.9	46%	0.463	48%	0.476	S	S	.	.			trans	-55.7	133.6	175.6	-73.2	-171.7	171.2	0	0	112.5	K656 C657 C660 F664 H673	K656-E662 CarbonylContact C-O 3.27Å; K656-E662 VanDerWaalsContact CA-O 3.29Å; K656-E662 WeakPolarHBondContact CA-O 3.32Å; C657-E662 PolarHBondContact N-O 3.09Å; C660-E662 PolarHBondContact O-N 3.02Å; E662-F664 HydrophobicContact CB-CD2 4.44Å; E662-F664 HydrophobicContact CB-CE2 3.58Å; E662-F664 HydrophobicContact CB-CZ 3.95Å; E662-F664 WeakPolarHBondContact O-CD2 3.42Å; E662-F664 WeakPolarHBondContact OE2-CZ 3.27Å; E662-H673 IonicContact OE2-CE1 3.35Å; E662-H673 PolarHBondContact OE2-CE1 3.39Å; E662-H673 IonicContact OE2-ND1 2.63Å; E662-H673 PolarHBondContact OE2-ND1 2.65Å
663	E	68.7	Low	62.4	Low	102 Å²	102	85.9 Å²	85.9	48%	0.477	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	109.1	-171.6	-52.3	-158.3	153.5	0	0	112.6	L654 K656 D661	L654-E663 HydrophobicContact CB-CB 4.29Å; L654-E663 HydrophobicContact CD2-CB 4.03Å; L654-E663 WeakPolarHBondContact CD2-OE2 3.41Å; K656-E663 WeakPolarHBondContact CE-OE1 3.46Å; K656-E663 HydrophobicContact CG-CG 4.17Å; K656-E663 IonicContact NZ-OE1 3.94Å; K656-E663 PolarHBondContact NZ-OE1 3.25Å; D661-E663 PolarHBondContact O-N 2.99Å
664	F	66.8	Low	63.4	Low	34 Å²	34	83.2 Å²	83.2	15%	0.149	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	131	-177.9	-65.9	-84.2	0	0	0	113.3	V655 C657 E662 S666 K669 L670 H673	V655-F664 PolarHBondContact N-O 3.49Å; V655-F664 PolarHBondContact O-N 3.08Å; C657-F664 HydrophobicContact CB-CE2 4.13Å; E662-F664 HydrophobicContact CB-CD2 4.44Å; E662-F664 HydrophobicContact CB-CE2 3.58Å; E662-F664 HydrophobicContact CB-CZ 3.95Å; E662-F664 WeakPolarHBondContact O-CD2 3.42Å; E662-F664 WeakPolarHBondContact OE2-CZ 3.27Å; F664-S666 VanDerWaalsContact C-N 3.28Å; F664-S666 PolarHBondContact O-N 2.83Å; F664-K669 HydrophobicContact CD1-CB 3.86Å; F664-L670 HydrophobicContact CB-CB 3.92Å; F664-L670 HydrophobicContact CD2-CB 3.97Å; F664-L670 HydrophobicContact CD2-CD1 3.6Å; F664-L670 HydrophobicContact CD2-CG 4.34Å; F664-L670 HydrophobicContact CE2-CD1 3.92Å; F664-L670 HydrophobicContact CG-CB 3.95Å; F664-L670 HydrophobicContact CG-CD1 4.44Å; F664-H673 HydrophobicContact CE1-CB 4.02Å; F664-H673 HydrophobicContact CE2-CB 4.16Å; F664-H673 AromaticContact CE2-CG 3.86Å; F664-H673 HydrophobicContact CZ-CB 3.59Å; F664-H673 AromaticContact CZ-CG 3.44Å; F664-H673 VanDerWaalsContact CZ-CG 3.44Å; F664-H673 AromaticContact CZ-ND1 3.49Å; F664-H673 WeakPolarHBondContact CZ-ND1 3.27Å
665	F	51.5	Low	64.1	Low	175 Å²	175	84.4 Å²	84.4	77%	0.768	44%	0.44	S	S	*	.	S	Bend	trans	-76.7	-8.3	174.9	-65.7	-86.6	0	0	0	114.2	L654	L654-F665 HydrophobicContact CD1-CD1 4.19Å; L654-F665 HydrophobicContact CD1-CE1 3.84Å; L654-F665 HydrophobicContact CD2-CD1 4.47Å; L654-F665 HydrophobicContact CD2-CE1 3.77Å; L654-F665 HydrophobicContact CD2-CE2 4.4Å; L654-F665 HydrophobicContact CD2-CZ 3.72Å; L654-F665 HydrophobicContact CG-CD1 4Å; L654-F665 HydrophobicContact CG-CE1 3.73Å; L654-F665 HydrophobicContact CG-CZ 4.16Å
666	S	53.9	Low	64.6	Low	41 Å²	41	86 Å²	86	29%	0.287	45%	0.454	S	S	.	.	S	Bend	trans	-145.5	143.6	169.9	77.5	0	0	0	0	112.4	F664 S668 K669 L670	F664-S666 VanDerWaalsContact C-N 3.28Å; F664-S666 PolarHBondContact O-N 2.83Å; S666-S668 PolarHBondContact O-N 3.37Å; S666-K669 PolarHBondContact O-N 2.96Å; S666-K669 VanDerWaalsContact O-N 3.14Å; S666-K669 WeakPolarHBondContact OG-CG 3.11Å; S666-K669 PolarHBondContact OG-N 2.93Å; S666-L670 PolarHBondContact O-N 3.39Å; S666-L670 VanDerWaalsContact O-N 3.13Å
667	F	56.1	Low	64.3	Low	146 Å²	146	87.7 Å²	87.7	64%	0.64	46%	0.463	S	S	*	.	H	α-helix	trans	-62	-30.1	177.8	-170.9	-103.5	0	0	0	112.2	L670 K671	F667-L670 HydrophobicContact CD2-CD2 4.45Å; F667-L670 PolarHBondContact O-N 2.91Å; F667-K671 WeakPolarHBondContact O-CB 3.36Å; F667-K671 PolarHBondContact O-N 3.3Å
668	S	57.9	Low	64.3	Low	59 Å²	59	91.9 Å²	91.9	41%	0.413	48%	0.482	S	S	.	.	H	α-helix	trans	-66.3	-37.8	175	-43.3	0	0	0	0	112.7	S666 K672	S666-S668 PolarHBondContact O-N 3.37Å; S668-K672 WeakPolarHBondContact O-CG 3.37Å; S668-K672 PolarHBondContact O-N 3.13Å; S668-K672 VanDerWaalsContact O-N 3.09Å
669	K	65.2	Low	63.8	Low	141 Å²	141	97.4 Å²	97.4	61%	0.613	48%	0.478	S	S	*	.	H	α-helix	trans	-69.7	-43.1	173.8	-74.9	-174.6	175.8	-170.9	0	111.1	F664 S666 K671 K672 H673	F664-K669 HydrophobicContact CD1-CB 3.86Å; S666-K669 PolarHBondContact O-N 2.96Å; S666-K669 VanDerWaalsContact O-N 3.14Å; S666-K669 WeakPolarHBondContact OG-CG 3.11Å; S666-K669 PolarHBondContact OG-N 2.93Å; K669-K671 PolarHBondContact O-N 2.9Å; K669-K672 PolarHBondContact O-N 3.2Å; K669-H673 WeakPolarHBondContact O-CB 3.31Å; K669-H673 PolarHBondContact O-N 3.04Å
670	L	71.6	Confident	62.7	Low	10 Å²	10	100.3 Å²	100.3	5%	0.052	49%	0.492	C	S	.	.	H	α-helix	trans	-59.6	-45.2	173.5	175.7	59.2	0	0	0	112.4	V655 C657 F664 S666 F667 K672 H673 I674	V655-L670 HydrophobicContact CB-CD2 4.04Å; V655-L670 HydrophobicContact CG1-CD2 3.47Å; V655-L670 VanDerWaalsContact CG1-CD2 3.47Å; C657-L670 HydrophobicContact CB-CD1 3.54Å; F664-L670 HydrophobicContact CB-CB 3.92Å; F664-L670 HydrophobicContact CD2-CB 3.97Å; F664-L670 HydrophobicContact CD2-CD1 3.6Å; F664-L670 HydrophobicContact CD2-CG 4.34Å; F664-L670 HydrophobicContact CE2-CD1 3.92Å; F664-L670 HydrophobicContact CG-CB 3.95Å; F664-L670 HydrophobicContact CG-CD1 4.44Å; S666-L670 PolarHBondContact O-N 3.39Å; S666-L670 VanDerWaalsContact O-N 3.13Å; F667-L670 HydrophobicContact CD2-CD2 4.45Å; F667-L670 PolarHBondContact O-N 2.91Å; L670-K672 PolarHBondContact O-N 3.34Å; L670-H673 PolarHBondContact O-N 3.38Å; L670-I674 HydrophobicContact CD1-CD1 3.77Å; L670-I674 HydrophobicContact CD1-CG1 3.97Å; L670-I674 HydrophobicContact CG-CD1 3.89Å; L670-I674 HydrophobicContact CG-CG1 4.47Å; L670-I674 WeakPolarHBondContact O-CG1 3.48Å; L670-I674 PolarHBondContact O-N 3.16Å
671	K	65.3	Low	61.3	Low	127 Å²	127	100.3 Å²	100.3	55%	0.552	50%	0.502	S	S	*	.	H	α-helix	trans	-62.4	-42	177.9	-172.9	179.9	177.9	-174.1	0	111.4	F667 K669 M675	F667-K671 WeakPolarHBondContact O-CB 3.36Å; F667-K671 PolarHBondContact O-N 3.3Å; K669-K671 PolarHBondContact O-N 2.9Å; K671-M675 HydrophobicContact CD-SD 4.4Å; K671-M675 HydrophobicContact CG-SD 3.96Å; K671-M675 WeakPolarHBondContact O-CB 3.45Å; K671-M675 VanDerWaalsContact O-CG 3.26Å; K671-M675 WeakPolarHBondContact O-CG 3.49Å; K671-M675 PolarHBondContact O-N 2.85Å
672	K	69	Low	60	Low	161 Å²	161	103.2 Å²	103.2	70%	0.7	52%	0.517	S	S	*	.	H	α-helix	trans	-61.1	-48.6	173.4	-77.5	-167.5	173.3	-162.6	0	111.6	S668 K669 L670 I674 M675 S676	S668-K672 WeakPolarHBondContact O-CG 3.37Å; S668-K672 PolarHBondContact O-N 3.13Å; S668-K672 VanDerWaalsContact O-N 3.09Å; K669-K672 PolarHBondContact O-N 3.2Å; L670-K672 PolarHBondContact O-N 3.34Å; K672-I674 PolarHBondContact O-N 2.94Å; K672-M675 PolarHBondContact O-N 3.26Å; K672-S676 PolarHBondContact O-N 3.13Å; K672-S676 PolarHBondContact O-OG 2.73Å
673	H	74.3	Confident	58.4	Low	19 Å²	19	101.7 Å²	101.7	9%	0.088	53%	0.528	C	S	.	.	H	α-helix	trans	-55.9	-49.5	176.3	166.8	98.6	0	0	0	112.1	C657 C660 E662 F664 K669 L670 M675 S676 H677	C657-H673 PolarHBondContact SG-NE2 3.26Å; C660-H673 VanDerWaalsContact SG-CE1 3.5Å; C660-H673 PolarHBondContact SG-NE2 2.83Å; E662-H673 IonicContact OE2-CE1 3.35Å; E662-H673 PolarHBondContact OE2-CE1 3.39Å; E662-H673 IonicContact OE2-ND1 2.63Å; E662-H673 PolarHBondContact OE2-ND1 2.65Å; F664-H673 HydrophobicContact CE1-CB 4.02Å; F664-H673 HydrophobicContact CE2-CB 4.16Å; F664-H673 AromaticContact CE2-CG 3.86Å; F664-H673 HydrophobicContact CZ-CB 3.59Å; F664-H673 AromaticContact CZ-CG 3.44Å; F664-H673 VanDerWaalsContact CZ-CG 3.44Å; F664-H673 AromaticContact CZ-ND1 3.49Å; F664-H673 WeakPolarHBondContact CZ-ND1 3.27Å; K669-H673 WeakPolarHBondContact O-CB 3.31Å; K669-H673 PolarHBondContact O-N 3.04Å; L670-H673 PolarHBondContact O-N 3.38Å; H673-M675 VanDerWaalsContact C-N 3.31Å; H673-M675 PolarHBondContact O-N 3.28Å; H673-S676 PolarHBondContact O-N 3.48Å; H673-S676 VanDerWaalsContact O-N 3.17Å; H673-S676 PolarHBondContact O-OG 2.95Å; H673-S676 VanDerWaalsContact O-OG 3.08Å; H673-H677 AromaticContact CE1-CD2 3.99Å; H673-H677 WeakPolarHBondContact O-CB 3.35Å; H673-H677 PolarHBondContact O-N 3.02Å
674	I	67	Low	56.9	Low	71 Å²	71	106.4 Å²	106.4	36%	0.364	55%	0.55	S	S	.	*	H	α-helix	trans	-60.4	-42.8	178	-67.5	168.5	0	0	0	110.6	L670 K672 S676 H678	L670-I674 HydrophobicContact CD1-CD1 3.77Å; L670-I674 HydrophobicContact CD1-CG1 3.97Å; L670-I674 HydrophobicContact CG-CD1 3.89Å; L670-I674 HydrophobicContact CG-CG1 4.47Å; L670-I674 WeakPolarHBondContact O-CG1 3.48Å; L670-I674 PolarHBondContact O-N 3.16Å; K672-I674 PolarHBondContact O-N 2.94Å; I674-S676 VanDerWaalsContact C-N 3.3Å; I674-S676 PolarHBondContact O-N 3.36Å; I674-H678 WeakPolarHBondContact O-CB 3.46Å; I674-H678 PolarHBondContact O-N 2.95Å; I674-H678 VanDerWaalsContact O-N 3.07Å
675	M	63.7	Low	55.3	Low	99 Å²	99	108.5 Å²	108.5	49%	0.488	58%	0.582	S	S	.	*	H	α-helix	trans	-68.9	-23.5	179.1	-72.1	176.9	63.7	0	0	113.9	K671 K672 H673	K671-M675 HydrophobicContact CD-SD 4.4Å; K671-M675 HydrophobicContact CG-SD 3.96Å; K671-M675 WeakPolarHBondContact O-CB 3.45Å; K671-M675 VanDerWaalsContact O-CG 3.26Å; K671-M675 WeakPolarHBondContact O-CG 3.49Å; K671-M675 PolarHBondContact O-N 2.85Å; K672-M675 PolarHBondContact O-N 3.26Å; H673-M675 VanDerWaalsContact C-N 3.31Å; H673-M675 PolarHBondContact O-N 3.28Å
676	S	67.3	Low	54.2	Low	93 Å²	93	107.9 Å²	107.9	65%	0.65	59%	0.586	S	S	*	*	H	α-helix	trans	-94.7	-32.3	177.9	61.5	0	0	0	0	114.1	K672 H673 I674	K672-S676 PolarHBondContact O-N 3.13Å; K672-S676 PolarHBondContact O-OG 2.73Å; H673-S676 PolarHBondContact O-N 3.48Å; H673-S676 VanDerWaalsContact O-N 3.17Å; H673-S676 PolarHBondContact O-OG 2.95Å; H673-S676 VanDerWaalsContact O-OG 3.08Å; I674-S676 VanDerWaalsContact C-N 3.3Å; I674-S676 PolarHBondContact O-N 3.36Å
677	H	60.2	Low	53.1	Low	131 Å²	131	113.7 Å²	113.7	61%	0.606	61%	0.609	S	S	*	*	H	α-helix	trans	-95.5	-14.8	-178	-101.8	-78	0	0	0	114.7	H673	H673-H677 AromaticContact CE1-CD2 3.99Å; H673-H677 WeakPolarHBondContact O-CB 3.35Å; H673-H677 PolarHBondContact O-N 3.02Å
678	H	67.5	Low	51.9	Low	88 Å²	88	112.6 Å²	112.6	41%	0.407	61%	0.614	S	S	.	*	S	Bend	trans	-134.9	45.1	-173.1	-53.8	-52	0	0	0	113.4	S659 I674	S659-H678 WeakPolarHBondContact CB-NE2 3.43Å; I674-H678 WeakPolarHBondContact O-CB 3.46Å; I674-H678 PolarHBondContact O-N 2.95Å; I674-H678 VanDerWaalsContact O-N 3.07Å
679	R	53.5	Low	50.5	Low	197 Å²	197	120.7 Å²	120.7	74%	0.743	64%	0.636	S	S	*	*			trans	-122.7	109.7	171.9	-97	-170.2	160.7	-117.3	-5.2	112
680	V	39.6	Very low	48.7	Very low	148 Å²	148	119.2 Å²	119.2	90%	0.897	64%	0.643	S	S	*	*			trans	-150.9	129	164.3	-177.1	0	0	0	0	106.5
681	G	40.8	Very low	46.5	Very low	59 Å²	59	125.9 Å²	125.9	61%	0.608	69%	0.685	S	S	*	*			trans	67.4	166.1	177.4	0	0	0	0	0	116.1
682	D	31.5	Very low	44.6	Very low	167 Å²	167	125.3 Å²	125.3	89%	0.893	70%	0.697	S	S	*	*			cis	-160.6	164.5	-10.2	-62.1	-57.5	0	0	0	106.9
683	G	35.6	Very low	43.4	Very low	68 Å²	68	123 Å²	123	70%	0.701	70%	0.698	S	S	*	*			cis	124.4	136.5	-12.3	0	0	0	0	0	114.7
684	E	36.8	Very low	41.3	Very low	201 Å²	201	130.2 Å²	130.2	94%	0.939	73%	0.732	S	S	*	*			cis	-154.7	172.2	-20.1	-73.4	-160.6	121.2	0	0	109.2
685	G	32.6	Very low	39.5	Very low	78 Å²	78	135 Å²	135	80%	0.804	76%	0.758	S	S	*	*			trans	87.6	163.4	178.1	0	0	0	0	0	116
686	D	28.8	Very low	38	Very low	162 Å²	162	134 Å²	134	87%	0.866	77%	0.774	S	S	*	*			cis	-158.4	177.9	-3.7	-164.2	14.7	0	0	0	111.7
687	E	31.2	Very low	36.3	Very low	162 Å²	162	134.1 Å²	134.1	76%	0.757	78%	0.775	S	S	*	*			trans	-79.6	157.6	-166	-58.3	-173.8	130.8	0	0	118.9
688	T	29.7	Very low	35.2	Very low	124 Å²	124	136 Å²	136	76%	0.761	79%	0.789	S	S	*	*				154.7	144.2	109.9	47.6	0	0	0	0	117.9
689	R	29.5	Very low	33.8	Very low	229 Å²	229	136.8 Å²	136.8	86%	0.864	80%	0.796	S	S	*	*			trans	65.8	100	147.2	-77.3	-177.6	171	171.4	-1	124.2
690	S	27.7	Very low	33.3	Very low	110 Å²	110	128.5 Å²	128.5	77%	0.769	77%	0.772	S	S	*	*				55.2	109.8	107.6	-50.1	0	0	0	0	122.6
691	T	24.8	Very low	34	Very low	150 Å²	150	126.4 Å²	126.4	92%	0.92	76%	0.759	S	S	*	*				-158	144.3	129.4	39	0	0	0	0	111.6
692	S	26.2	Very low	34.8	Very low	115 Å²	115	124 Å²	124	80%	0.804	73%	0.732	S	S	*	*			trans	-140.5	165	165.1	-133.5	0	0	0	0	106.2
693	P	43.1	Very low	35.8	Very low	111 Å²	111	117 Å²	117	72%	0.721	70%	0.698	S	S	*	*			cis	-149	-178	47.6	44.6	-23.8	0	0	0	117.8
694	E	29.6	Very low	36.4	Very low	172 Å²	172	116.9 Å²	116.9	80%	0.804	69%	0.69	S	S	*	*			trans	63.8	113.7	158.5	-45.3	-152.9	147.8	0	0	121.5
695	N	28.8	Very low	37.6	Very low	170 Å²	170	109.2 Å²	109.2	91%	0.909	66%	0.664	S	S	*	*				-148.2	143.2	109	-101.9	-75.7	0	0	0	108.9
696	G	32.9	Very low	38.8	Very low	80 Å²	80	110.1 Å²	110.1	83%	0.825	67%	0.665	S	S	*	*			trans	-88.5	141.2	-169	0	0	0	0	0	115.2
697	S	31.6	Very low	40.7	Very low	95 Å²	95	103.2 Å²	103.2	66%	0.664	63%	0.63	S	S	*	*			trans	-159.7	143.5	158	59.3	0	0	0	0	107.2	L699	S697-L699 WeakPolarHBondContact O-CG 3.17Å; S697-L699 PolarHBondContact O-N 2.78Å
698	D	37.8	Very low	42.9	Very low	171 Å²	171	97.8 Å²	97.8	91%	0.914	60%	0.604	S	S	*	*			trans	-49.2	123.2	-164	-49	-57	0	0	0	114.3
699	L	38.7	Very low	45.2	Very low	104 Å²	104	94.5 Å²	94.5	55%	0.545	58%	0.582	S	S	.	*			trans	-126	100.4	-177.3	-83.1	169.3	0	0	0	109.4	S697 A703	S697-L699 WeakPolarHBondContact O-CG 3.17Å; S697-L699 PolarHBondContact O-N 2.78Å; L699-A703 HydrophobicContact CD2-CB 3.97Å
700	G	41.7	Very low	47.6	Very low	23 Å²	23	84.1 Å²	84.1	24%	0.237	54%	0.544	C	S	.	.			trans	-63.1	160.8	178	0	0	0	0	0	113.8	L702 A703	G700-L702 PolarHBondContact O-N 3.2Å; G700-A703 PolarHBondContact O-N 3.26Å
701	V	54.9	Low	49.7	Very low	103 Å²	103	82.5 Å²	82.5	62%	0.624	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.5	-27.8	-171.4	-176.4	0	0	0	0	115.1
702	L	56.9	Low	52.1	Low	8 Å²	8	79.4 Å²	79.4	4%	0.042	51%	0.507	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-20.8	177.2	-74.2	173.9	0	0	0	115.7	G700 F708 N709 V711 W727 W740 L743	G700-L702 PolarHBondContact O-N 3.2Å; L702-F708 CarbonylContact O-C 3.49Å; L702-F708 WeakPolarHBondContact O-CA 3.3Å; L702-F708 WeakPolarHBondContact O-CB 3.13Å; L702-N709 PolarHBondContact O-N 3.37Å; L702-V711 HydrophobicContact CD2-CG2 3.83Å; L702-W727 HydrophobicContact CD1-CH2 4.46Å; L702-W727 HydrophobicContact CD2-CH2 3.85Å; L702-W727 HydrophobicContact CD2-CZ2 3.93Å; L702-W740 HydrophobicContact CB-CH2 4.45Å; L702-W740 HydrophobicContact CD1-CD2 3.83Å; L702-W740 HydrophobicContact CD1-CE3 3.84Å; L702-W740 HydrophobicContact CD1-CG 4.43Å; L702-W740 HydrophobicContact CD1-CH2 4.06Å; L702-W740 HydrophobicContact CD1-CZ2 4.03Å; L702-W740 HydrophobicContact CD1-CZ3 3.96Å; L702-L743 HydrophobicContact CD1-CB 3.76Å; L702-L743 HydrophobicContact CD2-CB 4.24Å; L702-L743 HydrophobicContact CD2-CD1 4.09Å; L702-L743 HydrophobicContact CG-CB 3.96Å
703	A	52	Low	54.6	Low	22 Å²	22	76 Å²	76	18%	0.182	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	111.2	-168.6	0	0	0	0	0	112.2	L699 G700 G705 F708	L699-A703 HydrophobicContact CD2-CB 3.97Å; G700-A703 PolarHBondContact O-N 3.26Å; A703-G705 PolarHBondContact O-N 3.16Å; A703-F708 HydrophobicContact CB-CD1 3.86Å; A703-F708 HydrophobicContact CB-CE1 3.91Å
704	A	48.1	Very low	56	Low	64 Å²	64	76.9 Å²	76.9	53%	0.529	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	68.5	168.8	0	0	0	0	0	109.8	A706 A707 N709	A704-A706 PolarHBondContact O-N 2.96Å; A704-A707 CarbonylContact C-O 3.56Å; A704-A707 PolarHBondContact N-O 3.22Å; A704-N709 VanDerWaalsContact CB-ND2 3.34Å; A704-N709 WeakPolarHBondContact CB-ND2 3.42Å
705	G	63.1	Low	58.1	Low	40 Å²	40	73.1 Å²	73.1	41%	0.412	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.3	-114.8	-177.1	0	0	0	0	0	112.1	A703 A707	A703-G705 PolarHBondContact O-N 3.16Å; G705-A707 VanDerWaalsContact C-N 3.29Å; G705-A707 PolarHBondContact O-N 2.96Å
706	A	58.5	Low	60.5	Low	98 Å²	98	69.1 Å²	69.1	81%	0.81	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-1.9	-174.4	0	0	0	0	0	114.7	A704	A704-A706 PolarHBondContact O-N 2.96Å
707	A	67.6	Low	62.7	Low	17 Å²	17	67.1 Å²	67.1	14%	0.14	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	154.6	179.3	0	0	0	0	0	111.4	A704 G705 V716	A704-A707 CarbonylContact C-O 3.56Å; A704-A707 PolarHBondContact N-O 3.22Å; G705-A707 VanDerWaalsContact C-N 3.29Å; G705-A707 PolarHBondContact O-N 2.96Å; A707-V716 HydrophobicContact CB-CG1 3.61Å
708	F	77.4	Confident	64.7	Low	48 Å²	48	68.2 Å²	68.2	21%	0.211	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	143.7	-174.9	-57	-89.5	0	0	0	111.2	L702 A703 V716 L717 I723 W740	L702-F708 CarbonylContact O-C 3.49Å; L702-F708 WeakPolarHBondContact O-CA 3.3Å; L702-F708 WeakPolarHBondContact O-CB 3.13Å; A703-F708 HydrophobicContact CB-CD1 3.86Å; A703-F708 HydrophobicContact CB-CE1 3.91Å; F708-V716 CarbonylContact O-C 3.56Å; F708-V716 WeakPolarHBondContact O-CA 3.45Å; F708-L717 WeakPolarHBondContact CB-O 3.5Å; F708-L717 PolarHBondContact N-O 2.94Å; F708-L717 PolarHBondContact O-N 2.92Å; F708-I723 HydrophobicContact CB-CD1 3.36Å; F708-I723 HydrophobicContact CB-CG1 3.88Å; F708-W740 AromaticContact CD1-CH2 3.64Å; F708-W740 HydrophobicContact CD1-CH2 3.64Å; F708-W740 HydrophobicContact CD1-CZ3 4.48Å; F708-W740 AromaticContact CE1-CH2 3.77Å; F708-W740 HydrophobicContact CE1-CH2 3.77Å; F708-W740 HydrophobicContact CE1-CZ2 4.29Å; F708-W740 HydrophobicContact CG-CH2 4.3Å
709	N	77.7	Confident	66.6	Low	55 Å²	55	62.6 Å²	62.6	29%	0.294	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	133.8	178.5	-62.4	-53.1	0	0	0	110.8	L702 A704 V711 I723	L702-N709 PolarHBondContact O-N 3.37Å; A704-N709 VanDerWaalsContact CB-ND2 3.34Å; A704-N709 WeakPolarHBondContact CB-ND2 3.42Å; N709-V711 PolarHBondContact O-N 3.3Å; N709-I723 VanDerWaalsContact C-CD1 3.44Å; N709-I723 VanDerWaalsContact O-CD1 3.28Å; N709-I723 WeakPolarHBondContact O-CD1 3.02Å
710	C	79.9	Confident	68.6	Low	10 Å²	10	61.2 Å²	61.2	7%	0.068	38%	0.384	C	S	.	.			trans	-69.8	129.4	166.5	179	0	0	0	0	109.7	L712 C713 K715 H726 W727	C710-L712 VanDerWaalsContact C-N 3.27Å; C710-L712 PolarHBondContact SG-N 2.95Å; C710-C713 CarbonylContact C-O 3.48Å; C710-C713 VanDerWaalsContact CB-O 3.31Å; C710-C713 WeakPolarHBondContact CB-O 3.4Å; C710-C713 PolarHBondContact SG-N 3.35Å; C710-C713 VanDerWaalsContact SG-N 3.42Å; C710-K715 PolarHBondContact N-O 2.81Å; C710-H726 PolarHBondContact SG-CD2 3.41Å; C710-H726 PolarHBondContact SG-NE2 3.25Å; C710-W727 VanDerWaalsContact SG-CD1 3.6Å; C710-W727 PolarHBondContact SG-NE1 3.47Å
711	V	73.4	Confident	70.4	Confident	77 Å²	77	67 Å²	67	47%	0.467	41%	0.405	S	S	.	.	S	Bend	trans	-76.8	-17.5	176.2	179.9	0	0	0	0	111.9	L702 N709 L743	L702-V711 HydrophobicContact CD2-CG2 3.83Å; N709-V711 PolarHBondContact O-N 3.3Å; V711-L743 HydrophobicContact CB-CD1 4.22Å; V711-L743 HydrophobicContact CG2-CD1 3.9Å; V711-L743 HydrophobicContact CG2-CD2 4.37Å
712	L	74.1	Confident	71.7	Confident	85 Å²	85	66.2 Å²	66.2	45%	0.445	40%	0.397	S	S	.	.	S	Bend	trans	-98.6	-13.2	-176.3	-54.6	178.6	0	0	0	114	C710 H731 L739	C710-L712 VanDerWaalsContact C-N 3.27Å; C710-L712 PolarHBondContact SG-N 2.95Å; L712-H731 VanDerWaalsContact CB-CE1 3.43Å; L712-H731 WeakPolarHBondContact CB-CE1 3.48Å; L712-H731 WeakPolarHBondContact CB-ND1 3.39Å; L712-H731 HydrophobicContact CD1-CB 3.75Å; L712-H731 PolarHBondContact O-CE1 3.06Å; L712-H731 VanDerWaalsContact O-CE1 3.26Å; L712-L739 HydrophobicContact CD1-CD2 4.16Å
713	C	78.3	Confident	72.9	Confident	44 Å²	44	65.9 Å²	65.9	30%	0.297	40%	0.395	S	S	.	.	S	Bend	trans	-159.7	161.8	167.1	71.4	0	0	0	0	111.1	C710 K715 H726 H731	C710-C713 CarbonylContact C-O 3.48Å; C710-C713 VanDerWaalsContact CB-O 3.31Å; C710-C713 WeakPolarHBondContact CB-O 3.4Å; C710-C713 PolarHBondContact SG-N 3.35Å; C710-C713 VanDerWaalsContact SG-N 3.42Å; C713-K715 PolarHBondContact O-N 3.02Å; C713-H726 VanDerWaalsContact SG-CE1 3.57Å; C713-H726 PolarHBondContact SG-NE2 3.28Å; C713-H731 PolarHBondContact SG-NE2 2.83Å; C713-H731 VanDerWaalsContact SG-NE2 3.42Å
714	S	73.1	Confident	74.3	Confident	129 Å²	129	66.2 Å²	66.2	90%	0.902	39%	0.393	S	S	*	.	S	Bend	trans	-72	34.7	-175.9	62.6	0	0	0	0	115.6
715	K	73.8	Confident	75.9	Confident	92 Å²	92	67.7 Å²	67.7	40%	0.4	39%	0.389	S	S	.	.			trans	-92.5	129.8	174.7	-73.6	-172.3	-178.9	-176.4	0	111	C710 C713	C710-K715 PolarHBondContact N-O 2.81Å; C713-K715 PolarHBondContact O-N 3.02Å
716	V	78.6	Confident	77	Confident	86 Å²	86	66.3 Å²	66.3	52%	0.521	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	136.1	171.3	-166.5	0	0	0	0	108.5	A707 F708	A707-V716 HydrophobicContact CB-CG1 3.61Å; F708-V716 CarbonylContact O-C 3.56Å; F708-V716 WeakPolarHBondContact O-CA 3.45Å
717	L	79.3	Confident	78.4	Confident	39 Å²	39	61.7 Å²	61.7	20%	0.204	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	132.4	-173.8	-67.9	171	0	0	0	110.8	F708 T719 L722 I723 H726	F708-L717 WeakPolarHBondContact CB-O 3.5Å; F708-L717 PolarHBondContact N-O 2.94Å; F708-L717 PolarHBondContact O-N 2.92Å; L717-T719 VanDerWaalsContact C-N 3.29Å; L717-T719 PolarHBondContact O-N 3.22Å; L717-L722 HydrophobicContact CB-CB 4.16Å; L717-I723 HydrophobicContact CB-CG1 4.01Å; L717-I723 HydrophobicContact CD1-CG1 4.1Å; L717-H726 HydrophobicContact CD1-CB 3.52Å
718	D	73.6	Confident	79.2	Confident	117 Å²	117	65.8 Å²	65.8	63%	0.626	35%	0.345	S	S	*	.	S	Bend	trans	-74.6	-9.2	-165.5	-52.3	-38.8	0	0	0	115.3
719	T	77.9	Confident	79.4	Confident	53 Å²	53	66.3 Å²	66.3	33%	0.325	36%	0.355	S	S	.	.	S	Bend	trans	-141.8	152.6	-179.4	75.1	0	0	0	0	113.8	L717 E721 L722 I723	L717-T719 VanDerWaalsContact C-N 3.29Å; L717-T719 PolarHBondContact O-N 3.22Å; T719-E721 VanDerWaalsContact C-N 3.25Å; T719-E721 PolarHBondContact O-N 2.99Å; T719-L722 PolarHBondContact O-N 3.12Å; T719-L722 VanDerWaalsContact O-N 3.15Å; T719-L722 WeakPolarHBondContact OG1-CG 3.45Å; T719-L722 PolarHBondContact OG1-N 2.7Å; T719-I723 PolarHBondContact O-N 3.18Å; T719-I723 VanDerWaalsContact O-N 3.11Å
720	K	80.6	Confident	79.5	Confident	75 Å²	75	69 Å²	69	33%	0.326	37%	0.366	S	S	.	.	H	α-helix	trans	-53.4	-41.3	170.8	171	170.9	-179.9	164.7	0	112.1	L722 I723 M724 W740	K720-L722 PolarHBondContact O-N 3.33Å; K720-I723 PolarHBondContact O-N 2.75Å; K720-M724 HydrophobicContact CG-CE 3.94Å; K720-M724 HydrophobicContact CG-CG 4.41Å; K720-M724 HydrophobicContact CG-SD 4.17Å; K720-M724 WeakPolarHBondContact O-CG 3.35Å; K720-M724 PolarHBondContact O-N 3.35Å; K720-W740 HydrophobicContact CB-CH2 3.71Å; K720-W740 HydrophobicContact CB-CZ2 4.1Å; K720-W740 HydrophobicContact CB-CZ3 3.98Å; K720-W740 HydrophobicContact CD-CD2 3.83Å; K720-W740 HydrophobicContact CD-CE3 4.28Å; K720-W740 HydrophobicContact CD-CG 4.37Å; K720-W740 HydrophobicContact CD-CH2 4.11Å; K720-W740 HydrophobicContact CD-CZ2 3.67Å; K720-W740 HydrophobicContact CD-CZ3 4.4Å; K720-W740 HydrophobicContact CG-CD2 3.93Å; K720-W740 HydrophobicContact CG-CE3 3.84Å; K720-W740 HydrophobicContact CG-CH2 3.75Å; K720-W740 HydrophobicContact CG-CZ2 3.86Å; K720-W740 HydrophobicContact CG-CZ3 3.75Å; K720-W740 VanDerWaalsContact NZ-NE1 3.13Å
721	E	79.9	Confident	79.5	Confident	144 Å²	144	71.6 Å²	71.6	67%	0.673	38%	0.377	S	S	*	.	H	α-helix	trans	-58.9	-45.9	177.1	-69.5	164.3	-131.3	0	0	111.9	T719 M724 E725	T719-E721 VanDerWaalsContact C-N 3.25Å; T719-E721 PolarHBondContact O-N 2.99Å; E721-M724 PolarHBondContact O-N 3.25Å; E721-E725 WeakPolarHBondContact O-CB 3.16Å; E721-E725 PolarHBondContact O-N 3.3Å
722	L	81.6	Confident	79.6	Confident	88 Å²	88	75.2 Å²	75.2	46%	0.461	39%	0.388	S	S	.	.	H	α-helix	trans	-66.3	-37.4	178.6	-71.1	171.6	0	0	0	112	L717 T719 K720 H726	L717-L722 HydrophobicContact CB-CB 4.16Å; T719-L722 PolarHBondContact O-N 3.12Å; T719-L722 VanDerWaalsContact O-N 3.15Å; T719-L722 WeakPolarHBondContact OG1-CG 3.45Å; T719-L722 PolarHBondContact OG1-N 2.7Å; K720-L722 PolarHBondContact O-N 3.33Å; L722-H726 WeakPolarHBondContact O-CB 3.34Å; L722-H726 PolarHBondContact O-N 3.34Å
723	I	83	Confident	79.9	Confident	0 Å²	0	72.7 Å²	72.7	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-62.3	-50.2	171.3	-78.1	-149.2	0	0	0	111.8	F708 N709 L717 T719 K720 E725 H726 W727 W740	F708-I723 HydrophobicContact CB-CD1 3.36Å; F708-I723 HydrophobicContact CB-CG1 3.88Å; N709-I723 VanDerWaalsContact C-CD1 3.44Å; N709-I723 VanDerWaalsContact O-CD1 3.28Å; N709-I723 WeakPolarHBondContact O-CD1 3.02Å; L717-I723 HydrophobicContact CB-CG1 4.01Å; L717-I723 HydrophobicContact CD1-CG1 4.1Å; T719-I723 PolarHBondContact O-N 3.18Å; T719-I723 VanDerWaalsContact O-N 3.11Å; K720-I723 PolarHBondContact O-N 2.75Å; I723-E725 VanDerWaalsContact C-N 3.29Å; I723-E725 PolarHBondContact O-N 3.16Å; I723-H726 WeakPolarHBondContact O-CB 3.41Å; I723-H726 PolarHBondContact O-N 3.03Å; I723-W727 HydrophobicContact CG2-CD2 3.65Å; I723-W727 VanDerWaalsContact CG2-CE2 3.42Å; I723-W727 HydrophobicContact CG2-CE3 3.8Å; I723-W727 HydrophobicContact CG2-CG 4.43Å; I723-W727 HydrophobicContact CG2-CH2 3.56Å; I723-W727 HydrophobicContact CG2-CZ2 3.39Å; I723-W727 HydrophobicContact CG2-CZ3 3.76Å; I723-W727 PolarHBondContact O-N 3.44Å; I723-W740 HydrophobicContact CB-CZ3 4.12Å; I723-W740 HydrophobicContact CG2-CE3 4.01Å; I723-W740 HydrophobicContact CG2-CZ3 3.86Å
724	M	81	Confident	79.8	Confident	29 Å²	29	79.3 Å²	79.3	14%	0.143	40%	0.404	C	S	.	.	H	α-helix	trans	-61.7	-40.2	-177.6	-69.1	-175.4	-55.9	0	0	111.3	K720 E721 W727 R728 P736 V737 W740	K720-M724 HydrophobicContact CG-CE 3.94Å; K720-M724 HydrophobicContact CG-CG 4.41Å; K720-M724 HydrophobicContact CG-SD 4.17Å; K720-M724 WeakPolarHBondContact O-CG 3.35Å; K720-M724 PolarHBondContact O-N 3.35Å; E721-M724 PolarHBondContact O-N 3.25Å; M724-W727 PolarHBondContact O-N 3.14Å; M724-R728 WeakPolarHBondContact O-CG 3.29Å; M724-R728 PolarHBondContact O-N 2.95Å; M724-R728 VanDerWaalsContact O-N 3.11Å; M724-P736 HydrophobicContact CB-CB 4.39Å; M724-V737 HydrophobicContact SD-CG2 4.38Å; M724-W740 HydrophobicContact CG-CE3 4.5Å
725	E	82.3	Confident	80	Confident	96 Å²	96	79 Å²	79	45%	0.449	39%	0.388	S	S	.	.	H	α-helix	trans	-72.2	-34.4	176.5	-167.6	56.2	-152.8	0	0	112.7	E721 I723 W727 R728 S729	E721-E725 WeakPolarHBondContact O-CB 3.16Å; E721-E725 PolarHBondContact O-N 3.3Å; I723-E725 VanDerWaalsContact C-N 3.29Å; I723-E725 PolarHBondContact O-N 3.16Å; E725-W727 VanDerWaalsContact C-N 3.35Å; E725-R728 PolarHBondContact O-N 2.84Å; E725-R728 WeakPolarHBondContact OE2-CD 3.49Å; E725-R728 IonicContact OE2-CZ 3.94Å; E725-R728 IonicContact OE2-NE 3.71Å; E725-R728 IonicContact OE2-NH1 2.7Å; E725-R728 PolarHBondContact OE2-NH1 3.4Å; E725-S729 VanDerWaalsContact O-CB 3.3Å; E725-S729 WeakPolarHBondContact O-CB 3.46Å; E725-S729 PolarHBondContact O-N 2.87Å; E725-S729 PolarHBondContact O-OG 3.34Å
726	H	85.5	Confident	80.2	Confident	11 Å²	11	74.9 Å²	74.9	5%	0.051	37%	0.371	C	S	.	.	H	α-helix	trans	-63	-39.6	171.4	169	61.4	0	0	0	112	C710 C713 L717 L722 I723 S729 H730 H731	C710-H726 PolarHBondContact SG-CD2 3.41Å; C710-H726 PolarHBondContact SG-NE2 3.25Å; C713-H726 VanDerWaalsContact SG-CE1 3.57Å; C713-H726 PolarHBondContact SG-NE2 3.28Å; L717-H726 HydrophobicContact CD1-CB 3.52Å; L722-H726 WeakPolarHBondContact O-CB 3.34Å; L722-H726 PolarHBondContact O-N 3.34Å; I723-H726 WeakPolarHBondContact O-CB 3.41Å; I723-H726 PolarHBondContact O-N 3.03Å; H726-S729 PolarHBondContact O-N 3.22Å; H726-H730 AromaticContact CE1-CD2 3.82Å; H726-H730 AromaticContact CE1-CG 3.83Å; H726-H730 AromaticContact ND1-CD2 3.16Å; H726-H730 PolarHBondContact ND1-CD2 3.3Å; H726-H730 AromaticContact ND1-CG 3.61Å; H726-H730 WeakPolarHBondContact O-CB 3.34Å; H726-H730 PolarHBondContact O-N 2.87Å; H726-H731 AromaticContact CE1-CD2 3.77Å; H726-H731 AromaticContact CE1-NE2 3.63Å; H726-H731 AromaticContact NE2-CD2 3.49Å; H726-H731 PolarHBondContact NE2-CD2 3.47Å; H726-H731 AromaticContact NE2-NE2 3.33Å; H726-H731 PolarHBondContact NE2-NE2 3.45Å
727	W	87.4	Confident	80.3	Confident	0 Å²	0	74 Å²	74	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-65.9	-38.1	173.7	-68.8	-20.4	0	0	0	112.8	L702 C710 I723 M724 E725 H731 H732 C733 P736 L739 W740 L743	L702-W727 HydrophobicContact CD1-CH2 4.46Å; L702-W727 HydrophobicContact CD2-CH2 3.85Å; L702-W727 HydrophobicContact CD2-CZ2 3.93Å; C710-W727 VanDerWaalsContact SG-CD1 3.6Å; C710-W727 PolarHBondContact SG-NE1 3.47Å; I723-W727 HydrophobicContact CG2-CD2 3.65Å; I723-W727 VanDerWaalsContact CG2-CE2 3.42Å; I723-W727 HydrophobicContact CG2-CE3 3.8Å; I723-W727 HydrophobicContact CG2-CG 4.43Å; I723-W727 HydrophobicContact CG2-CH2 3.56Å; I723-W727 HydrophobicContact CG2-CZ2 3.39Å; I723-W727 HydrophobicContact CG2-CZ3 3.76Å; I723-W727 PolarHBondContact O-N 3.44Å; M724-W727 PolarHBondContact O-N 3.14Å; E725-W727 VanDerWaalsContact C-N 3.35Å; W727-H731 CarbonylContact O-C 3.56Å; W727-H731 VanDerWaalsContact O-C 3.31Å; W727-H731 WeakPolarHBondContact O-CA 3.39Å; W727-H731 WeakPolarHBondContact O-CB 3.48Å; W727-H731 PolarHBondContact O-N 3.23Å; W727-H732 PolarHBondContact O-N 3.16Å; W727-H732 VanDerWaalsContact O-N 3.11Å; W727-C733 HydrophobicContact CB-CB 4.03Å; W727-C733 WeakPolarHBondContact O-CB 3.44Å; W727-C733 PolarHBondContact O-N 3.45Å; W727-P736 HydrophobicContact CB-CB 4.09Å; W727-P736 HydrophobicContact CE3-CB 4.06Å; W727-L739 HydrophobicContact CD2-CD2 3.77Å; W727-L739 HydrophobicContact CD2-CG 4.48Å; W727-L739 HydrophobicContact CE3-CB 4.29Å; W727-L739 HydrophobicContact CE3-CD2 3.75Å; W727-L739 HydrophobicContact CE3-CG 4.06Å; W727-L739 HydrophobicContact CG-CD2 4.26Å; W727-L739 HydrophobicContact CH2-CD2 4.4Å; W727-L739 HydrophobicContact CH2-CG 4.15Å; W727-L739 HydrophobicContact CZ2-CD2 4.41Å; W727-L739 HydrophobicContact CZ3-CB 4.15Å; W727-L739 HydrophobicContact CZ3-CD2 4.07Å; W727-L739 HydrophobicContact CZ3-CG 3.88Å; W727-W740 HydrophobicContact CH2-CE3 4.07Å; W727-W740 HydrophobicContact CZ3-CB 3.97Å; W727-W740 HydrophobicContact CZ3-CE3 4.07Å; W727-L743 HydrophobicContact CH2-CD1 3.86Å; W727-L743 HydrophobicContact CZ2-CD1 4.11Å
728	R	84	Confident	80.3	Confident	103 Å²	103	77.2 Å²	77.2	39%	0.389	38%	0.382	S	S	.	.	H	α-helix	trans	-64.7	-51.2	171.4	-65.6	-177.9	-165.1	106	6.8	112.2	M724 E725 H732 P736	M724-R728 WeakPolarHBondContact O-CG 3.29Å; M724-R728 PolarHBondContact O-N 2.95Å; M724-R728 VanDerWaalsContact O-N 3.11Å; E725-R728 PolarHBondContact O-N 2.84Å; E725-R728 WeakPolarHBondContact OE2-CD 3.49Å; E725-R728 IonicContact OE2-CZ 3.94Å; E725-R728 IonicContact OE2-NE 3.71Å; E725-R728 IonicContact OE2-NH1 2.7Å; E725-R728 PolarHBondContact OE2-NH1 3.4Å; R728-H732 VanDerWaalsContact O-CA 3.27Å; R728-H732 WeakPolarHBondContact O-CA 3.35Å; R728-H732 PolarHBondContact O-N 3.33Å; R728-P736 HydrophobicContact CG-CB 4.49Å; R728-P736 HydrophobicContact CG-CG 3.79Å
729	S	82.9	Confident	80.6	Confident	60 Å²	60	73.9 Å²	73.9	42%	0.42	36%	0.364	S	S	.	.	H	α-helix	trans	-83.2	-34.4	-166.2	57.1	0	0	0	0	115	E725 H726	E725-S729 VanDerWaalsContact O-CB 3.3Å; E725-S729 WeakPolarHBondContact O-CB 3.46Å; E725-S729 PolarHBondContact O-N 2.87Å; E725-S729 PolarHBondContact O-OG 3.34Å; H726-S729 PolarHBondContact O-N 3.22Å
730	H	78.5	Confident	80.7	Confident	111 Å²	111	72.4 Å²	72.4	51%	0.514	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-33.2	-179.8	-73	-82.3	0	0	0	113.2	H726	H726-H730 AromaticContact CE1-CD2 3.82Å; H726-H730 AromaticContact CE1-CG 3.83Å; H726-H730 AromaticContact ND1-CD2 3.16Å; H726-H730 PolarHBondContact ND1-CD2 3.3Å; H726-H730 AromaticContact ND1-CG 3.61Å; H726-H730 WeakPolarHBondContact O-CB 3.34Å; H726-H730 PolarHBondContact O-N 2.87Å
731	H	80.6	Confident	80.6	Confident	65 Å²	65	71.9 Å²	71.9	30%	0.301	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.8	1.9	-177.1	-64.6	-80.2	0	0	0	113.7	L712 C713 H726 W727 C733	L712-H731 VanDerWaalsContact CB-CE1 3.43Å; L712-H731 WeakPolarHBondContact CB-CE1 3.48Å; L712-H731 WeakPolarHBondContact CB-ND1 3.39Å; L712-H731 HydrophobicContact CD1-CB 3.75Å; L712-H731 PolarHBondContact O-CE1 3.06Å; L712-H731 VanDerWaalsContact O-CE1 3.26Å; C713-H731 PolarHBondContact SG-NE2 2.83Å; C713-H731 VanDerWaalsContact SG-NE2 3.42Å; H726-H731 AromaticContact CE1-CD2 3.77Å; H726-H731 AromaticContact CE1-NE2 3.63Å; H726-H731 AromaticContact NE2-CD2 3.49Å; H726-H731 PolarHBondContact NE2-CD2 3.47Å; H726-H731 AromaticContact NE2-NE2 3.33Å; H726-H731 PolarHBondContact NE2-NE2 3.45Å; W727-H731 CarbonylContact O-C 3.56Å; W727-H731 VanDerWaalsContact O-C 3.31Å; W727-H731 WeakPolarHBondContact O-CA 3.39Å; W727-H731 WeakPolarHBondContact O-CB 3.48Å; W727-H731 PolarHBondContact O-N 3.23Å; H731-C733 PolarHBondContact O-N 3.23Å; H731-C733 VanDerWaalsContact O-N 3.08Å
732	H	76.3	Confident	80.4	Confident	153 Å²	153	67.7 Å²	67.7	71%	0.708	34%	0.343	S	S	*	.			trans	51.5	31.6	178.6	-61.1	81.5	0	0	0	113.5	W727 R728 E734	W727-H732 PolarHBondContact O-N 3.16Å; W727-H732 VanDerWaalsContact O-N 3.11Å; R728-H732 VanDerWaalsContact O-CA 3.27Å; R728-H732 WeakPolarHBondContact O-CA 3.35Å; R728-H732 PolarHBondContact O-N 3.33Å; H732-E734 PolarHBondContact O-N 2.98Å
733	C	80.4	Confident	79.9	Confident	31 Å²	31	65.3 Å²	65.3	21%	0.209	33%	0.331	C	S	.	.			trans	-69.4	114.3	-179.7	-173.8	0	0	0	0	109.9	W727 H731 Q735 P736	W727-C733 HydrophobicContact CB-CB 4.03Å; W727-C733 WeakPolarHBondContact O-CB 3.44Å; W727-C733 PolarHBondContact O-N 3.45Å; H731-C733 PolarHBondContact O-N 3.23Å; H731-C733 VanDerWaalsContact O-N 3.08Å; C733-Q735 VanDerWaalsContact C-N 3.26Å; C733-Q735 PolarHBondContact O-N 3.36Å; C733-P736 WeakPolarHBondContact O-CD 3.46Å
734	E	74.8	Confident	79.1	Confident	184 Å²	184	67.2 Å²	67.2	86%	0.86	34%	0.344	S	S	*	.	S	Bend	trans	-65.7	-29.8	179.5	-58.6	-172.3	152.8	0	0	112.5	H732	H732-E734 PolarHBondContact O-N 2.98Å
735	Q	77.6	Confident	78.4	Confident	122 Å²	122	70 Å²	70	57%	0.57	37%	0.366	S	S	*	.			trans	-133.4	64.7	-173.8	-62.2	-173.8	-3.9	0	0	112.1	C733 V737 L738 L739	C733-Q735 VanDerWaalsContact C-N 3.26Å; C733-Q735 PolarHBondContact O-N 3.36Å; Q735-V737 PolarHBondContact O-N 3.47Å; Q735-V737 VanDerWaalsContact O-N 3.14Å; Q735-L738 HydrophobicContact CB-CB 4.48Å; Q735-L738 HydrophobicContact CB-CG 4.46Å; Q735-L738 PolarHBondContact O-N 2.95Å; Q735-L738 VanDerWaalsContact OE1-CD1 3.25Å; Q735-L739 PolarHBondContact O-N 3.49Å
736	P	79.4	Confident	77.2	Confident	5 Å²	5	75 Å²	75	3%	0.032	38%	0.382	C	S	.	.	H	α-helix	trans	-67.3	-17.1	-176.2	32.1	-39.3	0	0	0	113	M724 W727 R728 C733 W740	M724-P736 HydrophobicContact CB-CB 4.39Å; W727-P736 HydrophobicContact CB-CB 4.09Å; W727-P736 HydrophobicContact CE3-CB 4.06Å; R728-P736 HydrophobicContact CG-CB 4.49Å; R728-P736 HydrophobicContact CG-CG 3.79Å; C733-P736 WeakPolarHBondContact O-CD 3.46Å; P736-W740 WeakPolarHBondContact O-CB 3.14Å; P736-W740 PolarHBondContact O-N 2.72Å
737	V	79	Confident	75.7	Confident	69 Å²	69	77.5 Å²	77.5	42%	0.418	40%	0.401	S	S	.	.	H	α-helix	trans	-73.4	-47.7	175.4	-176.1	0	0	0	0	110.2	M724 Q735 L739 W740 D741	M724-V737 HydrophobicContact SD-CG2 4.38Å; Q735-V737 PolarHBondContact O-N 3.47Å; Q735-V737 VanDerWaalsContact O-N 3.14Å; V737-L739 VanDerWaalsContact C-N 3.3Å; V737-L739 PolarHBondContact O-N 2.77Å; V737-W740 WeakPolarHBondContact O-CB 3.37Å; V737-W740 PolarHBondContact O-N 3.19Å; V737-W740 VanDerWaalsContact O-N 3.13Å; V737-D741 WeakPolarHBondContact O-CB 3.33Å; V737-D741 PolarHBondContact O-N 2.99Å
738	L	81	Confident	74	Confident	105 Å²	105	80.9 Å²	80.9	55%	0.55	44%	0.436	S	S	.	.	H	α-helix	trans	-66	-35	175.2	-60.2	-167.3	0	0	0	112	Q735 D741 A742	Q735-L738 HydrophobicContact CB-CB 4.48Å; Q735-L738 HydrophobicContact CB-CG 4.46Å; Q735-L738 PolarHBondContact O-N 2.95Å; Q735-L738 VanDerWaalsContact OE1-CD1 3.25Å; L738-D741 PolarHBondContact O-N 2.78Å; L738-A742 VanDerWaalsContact O-CB 3.3Å; L738-A742 WeakPolarHBondContact O-CB 3.12Å; L738-A742 PolarHBondContact O-N 3.18Å
739	L	78.1	Confident	72	Confident	47 Å²	47	84.1 Å²	84.1	25%	0.246	46%	0.456	C	S	.	.	H	α-helix	trans	-62.1	-42.8	171.7	-177	59.6	0	0	0	111.4	L712 W727 Q735 V737 L743	L712-L739 HydrophobicContact CD1-CD2 4.16Å; W727-L739 HydrophobicContact CD2-CD2 3.77Å; W727-L739 HydrophobicContact CD2-CG 4.48Å; W727-L739 HydrophobicContact CE3-CB 4.29Å; W727-L739 HydrophobicContact CE3-CD2 3.75Å; W727-L739 HydrophobicContact CE3-CG 4.06Å; W727-L739 HydrophobicContact CG-CD2 4.26Å; W727-L739 HydrophobicContact CH2-CD2 4.4Å; W727-L739 HydrophobicContact CH2-CG 4.15Å; W727-L739 HydrophobicContact CZ2-CD2 4.41Å; W727-L739 HydrophobicContact CZ3-CB 4.15Å; W727-L739 HydrophobicContact CZ3-CD2 4.07Å; W727-L739 HydrophobicContact CZ3-CG 3.88Å; Q735-L739 PolarHBondContact O-N 3.49Å; V737-L739 VanDerWaalsContact C-N 3.3Å; V737-L739 PolarHBondContact O-N 2.77Å; L739-L743 HydrophobicContact CD1-CD1 3.7Å; L739-L743 HydrophobicContact CD1-CG 4.23Å; L739-L743 HydrophobicContact CG-CD1 3.9Å; L739-L743 WeakPolarHBondContact O-CB 3.29Å; L739-L743 WeakPolarHBondContact O-CD1 3.06Å; L739-L743 VanDerWaalsContact O-CG 3.24Å; L739-L743 WeakPolarHBondContact O-CG 3.11Å; L739-L743 PolarHBondContact O-N 3.21Å; L739-L743 VanDerWaalsContact O-N 3.15Å
740	W	80.6	Confident	70.1	Confident	23 Å²	23	90.5 Å²	90.5	9%	0.087	48%	0.479	C	S	.	.	H	α-helix	trans	-60.9	-50	173.7	-177.4	-78	0	0	0	111.5	L702 F708 K720 I723 M724 W727 P736 V737 A742 L743 S744	L702-W740 HydrophobicContact CB-CH2 4.45Å; L702-W740 HydrophobicContact CD1-CD2 3.83Å; L702-W740 HydrophobicContact CD1-CE3 3.84Å; L702-W740 HydrophobicContact CD1-CG 4.43Å; L702-W740 HydrophobicContact CD1-CH2 4.06Å; L702-W740 HydrophobicContact CD1-CZ2 4.03Å; L702-W740 HydrophobicContact CD1-CZ3 3.96Å; F708-W740 AromaticContact CD1-CH2 3.64Å; F708-W740 HydrophobicContact CD1-CH2 3.64Å; F708-W740 HydrophobicContact CD1-CZ3 4.48Å; F708-W740 AromaticContact CE1-CH2 3.77Å; F708-W740 HydrophobicContact CE1-CH2 3.77Å; F708-W740 HydrophobicContact CE1-CZ2 4.29Å; F708-W740 HydrophobicContact CG-CH2 4.3Å; K720-W740 HydrophobicContact CB-CH2 3.71Å; K720-W740 HydrophobicContact CB-CZ2 4.1Å; K720-W740 HydrophobicContact CB-CZ3 3.98Å; K720-W740 HydrophobicContact CD-CD2 3.83Å; K720-W740 HydrophobicContact CD-CE3 4.28Å; K720-W740 HydrophobicContact CD-CG 4.37Å; K720-W740 HydrophobicContact CD-CH2 4.11Å; K720-W740 HydrophobicContact CD-CZ2 3.67Å; K720-W740 HydrophobicContact CD-CZ3 4.4Å; K720-W740 HydrophobicContact CG-CD2 3.93Å; K720-W740 HydrophobicContact CG-CE3 3.84Å; K720-W740 HydrophobicContact CG-CH2 3.75Å; K720-W740 HydrophobicContact CG-CZ2 3.86Å; K720-W740 HydrophobicContact CG-CZ3 3.75Å; K720-W740 VanDerWaalsContact NZ-NE1 3.13Å; I723-W740 HydrophobicContact CB-CZ3 4.12Å; I723-W740 HydrophobicContact CG2-CE3 4.01Å; I723-W740 HydrophobicContact CG2-CZ3 3.86Å; M724-W740 HydrophobicContact CG-CE3 4.5Å; W727-W740 HydrophobicContact CH2-CE3 4.07Å; W727-W740 HydrophobicContact CZ3-CB 3.97Å; W727-W740 HydrophobicContact CZ3-CE3 4.07Å; P736-W740 WeakPolarHBondContact O-CB 3.14Å; P736-W740 PolarHBondContact O-N 2.72Å; V737-W740 WeakPolarHBondContact O-CB 3.37Å; V737-W740 PolarHBondContact O-N 3.19Å; V737-W740 VanDerWaalsContact O-N 3.13Å; W740-A742 PolarHBondContact O-N 3.36Å; W740-L743 PolarHBondContact O-N 3.36Å; W740-S744 PolarHBondContact NE1-OG 2.87Å; W740-S744 WeakPolarHBondContact O-CB 3.27Å; W740-S744 PolarHBondContact O-N 3.45Å; W740-S744 PolarHBondContact O-OG 3.26Å
741	D	77.9	Confident	68.4	Low	64 Å²	64	94.9 Å²	94.9	34%	0.342	50%	0.5	S	S	.	.	H	α-helix	trans	-69.7	-35	-171.4	-63	-19.8	0	0	0	111.1	V737 L738 S745	V737-D741 WeakPolarHBondContact O-CB 3.33Å; V737-D741 PolarHBondContact O-N 2.99Å; L738-D741 PolarHBondContact O-N 2.78Å; D741-S745 VanDerWaalsContact O-CB 3.25Å; D741-S745 WeakPolarHBondContact O-CB 3.23Å; D741-S745 PolarHBondContact O-N 2.74Å; D741-S745 PolarHBondContact O-OG 2.83Å
742	A	75.8	Confident	66.4	Low	55 Å²	55	94.7 Å²	94.7	46%	0.455	52%	0.515	S	S	.	.	H	α-helix	trans	-64.5	-48.7	170.5	0	0	0	0	0	112.3	L738 W740 S744 S745 Y746	L738-A742 VanDerWaalsContact O-CB 3.3Å; L738-A742 WeakPolarHBondContact O-CB 3.12Å; L738-A742 PolarHBondContact O-N 3.18Å; W740-A742 PolarHBondContact O-N 3.36Å; A742-S744 VanDerWaalsContact C-N 3.32Å; A742-S744 PolarHBondContact O-N 3.04Å; A742-S745 PolarHBondContact O-N 3.37Å; A742-Y746 PolarHBondContact O-N 3.02Å; A742-Y746 VanDerWaalsContact O-N 3.14Å
743	L	71.8	Confident	64.7	Low	38 Å²	38	96.8 Å²	96.8	20%	0.199	53%	0.525	C	S	.	.	H	α-helix	trans	-70.6	-24.7	-178.5	-70.9	170.2	0	0	0	113.6	L702 V711 W727 L739 W740	L702-L743 HydrophobicContact CD1-CB 3.76Å; L702-L743 HydrophobicContact CD2-CB 4.24Å; L702-L743 HydrophobicContact CD2-CD1 4.09Å; L702-L743 HydrophobicContact CG-CB 3.96Å; V711-L743 HydrophobicContact CB-CD1 4.22Å; V711-L743 HydrophobicContact CG2-CD1 3.9Å; V711-L743 HydrophobicContact CG2-CD2 4.37Å; W727-L743 HydrophobicContact CH2-CD1 3.86Å; W727-L743 HydrophobicContact CZ2-CD1 4.11Å; L739-L743 HydrophobicContact CD1-CD1 3.7Å; L739-L743 HydrophobicContact CD1-CG 4.23Å; L739-L743 HydrophobicContact CG-CD1 3.9Å; L739-L743 WeakPolarHBondContact O-CB 3.29Å; L739-L743 WeakPolarHBondContact O-CD1 3.06Å; L739-L743 VanDerWaalsContact O-CG 3.24Å; L739-L743 WeakPolarHBondContact O-CG 3.11Å; L739-L743 PolarHBondContact O-N 3.21Å; L739-L743 VanDerWaalsContact O-N 3.15Å; W740-L743 PolarHBondContact O-N 3.36Å
744	S	67.2	Low	62.8	Low	40 Å²	40	102.1 Å²	102.1	28%	0.28	56%	0.557	S	S	.	*	H	α-helix	trans	-87.1	-31.2	172	47.2	0	0	0	0	113	W740 A742 Y746 S747	W740-S744 PolarHBondContact NE1-OG 2.87Å; W740-S744 WeakPolarHBondContact O-CB 3.27Å; W740-S744 PolarHBondContact O-N 3.45Å; W740-S744 PolarHBondContact O-OG 3.26Å; A742-S744 VanDerWaalsContact C-N 3.32Å; A742-S744 PolarHBondContact O-N 3.04Å; S744-Y746 VanDerWaalsContact C-N 3.29Å; S744-Y746 PolarHBondContact O-N 2.71Å; S744-S747 PolarHBondContact O-N 2.74Å; S744-S747 PolarHBondContact O-OG 3Å
745	S	64.4	Low	61	Low	87 Å²	87	101.2 Å²	101.2	61%	0.608	56%	0.558	S	S	*	*	H	α-helix	trans	-61.6	-38.2	171.2	-61.1	0	0	0	0	112	D741 A742 S747	D741-S745 VanDerWaalsContact O-CB 3.25Å; D741-S745 WeakPolarHBondContact O-CB 3.23Å; D741-S745 PolarHBondContact O-N 2.74Å; D741-S745 PolarHBondContact O-OG 2.83Å; A742-S745 PolarHBondContact O-N 3.37Å; S745-S747 PolarHBondContact O-N 2.78Å; S745-S747 VanDerWaalsContact O-N 3.12Å
746	Y	57.2	Low	59.2	Low	202 Å²	202	98.4 Å²	98.4	79%	0.792	56%	0.562	S	S	*	*	G	3₁₀ helix	trans	-63.7	-13.4	177	-109.3	-88.7	0	0	0	114.9	A742 S744 G748	A742-Y746 PolarHBondContact O-N 3.02Å; A742-Y746 VanDerWaalsContact O-N 3.14Å; S744-Y746 VanDerWaalsContact C-N 3.29Å; S744-Y746 PolarHBondContact O-N 2.71Å; Y746-G748 VanDerWaalsContact C-N 3.33Å; Y746-G748 PolarHBondContact O-N 3.06Å
747	S	55.7	Low	57.1	Low	63 Å²	63	105.7 Å²	105.7	44%	0.441	60%	0.6	S	S	.	*	G	3₁₀ helix	trans	-83.3	1.4	-177.7	64.1	0	0	0	0	116.3	S744 S745	S744-S747 PolarHBondContact O-N 2.74Å; S744-S747 PolarHBondContact O-OG 3Å; S745-S747 PolarHBondContact O-N 2.78Å; S745-S747 VanDerWaalsContact O-N 3.12Å
748	G	50.4	Low	55.3	Low	72 Å²	72	109 Å²	109	74%	0.742	62%	0.615	S	S	*	*	G	3₁₀ helix	trans	-127.5	22.3	-175.2	0	0	0	0	0	115.1	Y746	Y746-G748 VanDerWaalsContact C-N 3.33Å; Y746-G748 PolarHBondContact O-N 3.06Å
749	Q	42.1	Very low	53.2	Low	170 Å²	170	110.8 Å²	110.8	79%	0.794	63%	0.625	S	S	*	*			trans	-142.3	51.7	-171.8	-156.4	176.5	-20.2	0	0	114.9
750	E	44.2	Very low	51.3	Low	195 Å²	195	119 Å²	119	91%	0.911	68%	0.677	S	S	*	*			trans	-130.1	58.1	157.9	-75.2	-160.9	156.9	0	0	111.8
751	E	42.9	Very low	49.8	Very low	203 Å²	203	123.8 Å²	123.8	95%	0.949	71%	0.707	S	S	*	*			trans	-117.9	71.1	148.5	-75.2	-163	157.5	0	0	108.3
752	G	37.1	Very low	48.4	Very low	61 Å²	61	126.9 Å²	126.9	63%	0.629	73%	0.726	S	S	*	*			trans	-92.3	132.1	163.1	0	0	0	0	0	109.3	V754	G752-V754 PolarHBondContact O-N 3.05Å
753	E	40.5	Very low	46.8	Very low	197 Å²	197	130.9 Å²	130.9	92%	0.921	74%	0.741	S	S	*	*			trans	-61.4	128.4	178.1	-65.5	172.3	116.6	0	0	110.6
754	V	41.4	Very low	45.4	Very low	143 Å²	143	136.4 Å²	136.4	87%	0.867	77%	0.773	S	S	*	*			trans	-115.2	66.3	172.6	-171.4	0	0	0	0	109.8	G752	G752-V754 PolarHBondContact O-N 3.05Å
755	D	36.5	Very low	44	Very low	164 Å²	164	142.4 Å²	142.4	88%	0.877	80%	0.804	S	S	*	*			trans	-110.9	135.8	133.1	-91.3	-35.3	0	0	0	104.4
756	G	39.7	Very low	42.7	Very low	64 Å²	64	146.1 Å²	146.1	66%	0.66	82%	0.817	S	S	*	*			cis	158.4	152.5	6.5	0	0	0	0	0	107.9
757	D	36.7	Very low	41.6	Very low	157 Å²	157	142.1 Å²	142.1	84%	0.84	82%	0.819	S	S	*	*			trans	69.6	136	173.2	-80.1	-14.3	0	0	0	121.6
758	L	40.3	Very low	40.5	Very low	140 Å²	140	148.2 Å²	148.2	73%	0.733	85%	0.848	S	S	*	*			trans	77.3	108.1	145.4	-67.6	162.9	0	0	0	122.4
759	D	37.7	Very low	39.7	Very low	141 Å²	141	154.5 Å²	154.5	75%	0.754	86%	0.856	S	S	*	*			trans	39.2	106.3	131	-55.9	-6	0	0	0	119.9
760	T	37.4	Very low	39.5	Very low	219 Å²	219	153.1 Å²	153.1	100%	1.344	86%	0.862	S	S	*	*				-159.8	0	90.9	-28.9	0	0	0	0	112

Retrieved 760 of 760 residues in 161.7 ms (Link to these results)

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